8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione

C136H136F6N44O13 — CID 162098984

IUPAC8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione
SMILESCCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(-c5ccc(C(F)(F)F)cc5)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C(C)(C)C)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C(F)(F)F)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(CC)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4nc(C(=O)Nc5cccnc5)cc4C)nc3)nc21
InChIInChI=1S/C26H22F3N7O2.C26H25N9O3.C23H27N7O2.C21H23N7O2.C20H18F3N7O2.C20H21N7O2/c1-2-11-34-23-21(24(37)36(25(34)38)19-8-9-19)32-22(33-23)16-5-10-20(30-12-16)35-14-17(13-31-35)15-3-6-18(7-4-15)26(27,28)29;1-3-11-33-23-21(25(37)34(26(33)38)18-7-8-18)30-22(31-23)16-6-9-20(28-13-16)35-15(2)12-19(32-35)24(36)29-17-5-4-10-27-14-17;1-5-10-28-20-18(21(31)30(22(28)32)16-7-8-16)26-19(27-20)14-6-9-17(24-11-14)29-13-15(12-25-29)23(2,3)4;1-3-9-26-19-17(20(29)28(21(26)30)15-6-7-15)24-18(25-19)14-5-8-16(22-11-14)27-12-13(4-2)10-23-27;1-2-7-28-17-15(18(31)30(19(28)32)13-4-5-13)26-16(27-17)11-3-6-14(24-8-11)29-10-12(9-25-29)20(21,22)23;1-3-8-25-18-16(19(28)27(20(25)29)14-5-6-14)23-17(24-18)13-4-7-15(21-10-13)26-11-12(2)9-22-26/h3-7,10,12-14,19H,2,8-9,11H2,1H3,(H,32,33);4-6,9-10,12-14,18H,3,7-8,11H2,1-2H3,(H,29,36)(H,30,31);6,9,11-13,16H,5,7-8,10H2,1-4H3,(H,26,27);5,8,10-12,15H,3-4,6-7,9H2,1-2H3,(H,24,25);3,6,8-10,13H,2,4-5,7H2,1H3,(H,26,27);4,7,9-11,14H,3,5-6,8H2,1-2H3,(H,23,24)
InChIKeyZEPXTTJOFJQEEM-UHFFFAOYSA-N
MW2708.87 g/mol
LogP18.10
Rot. Bonds34

About 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione

8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione (PubChem CID 162098984) has the molecular formula C136H136F6N44O13 and a molecular weight of 2708.87 g/mol. Its IUPAC name is 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione
PubChem CID162098984
Molecular FormulaC136H136F6N44O13
Molecular Weight2708.87 g/mol
Exact Mass2707.12
IUPAC Name8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione
SMILESCCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(-c5ccc(C(F)(F)F)cc5)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C(C)(C)C)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C(F)(F)F)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(CC)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4nc(C(=O)Nc5cccnc5)cc4C)nc3)nc21
InChIInChI=1S/C26H22F3N7O2.C26H25N9O3.C23H27N7O2.C21H23N7O2.C20H18F3N7O2.C20H21N7O2/c1-2-11-34-23-21(24(37)36(25(34)38)19-8-9-19)32-22(33-23)16-5-10-20(30-12-16)35-14-17(13-31-35)15-3-6-18(7-4-15)26(27,28)29;1-3-11-33-23-21(25(37)34(26(33)38)18-7-8-18)30-22(31-23)16-6-9-20(28-13-16)35-15(2)12-19(32-35)24(36)29-17-5-4-10-27-14-17;1-5-10-28-20-18(21(31)30(22(28)32)16-7-8-16)26-19(27-20)14-6-9-17(24-11-14)29-13-15(12-25-29)23(2,3)4;1-3-9-26-19-17(20(29)28(21(26)30)15-6-7-15)24-18(25-19)14-5-8-16(22-11-14)27-12-13(4-2)10-23-27;1-2-7-28-17-15(18(31)30(19(28)32)13-4-5-13)26-16(27-17)11-3-6-14(24-8-11)29-10-12(9-25-29)20(21,22)23;1-3-8-25-18-16(19(28)27(20(25)29)14-5-6-14)23-17(24-18)13-4-7-15(21-10-13)26-11-12(2)9-22-26/h3-7,10,12-14,19H,2,8-9,11H2,1H3,(H,32,33);4-6,9-10,12-14,18H,3,7-8,11H2,1-2H3,(H,29,36)(H,30,31);6,9,11-13,16H,5,7-8,10H2,1-4H3,(H,26,27);5,8,10-12,15H,3-4,6-7,9H2,1-2H3,(H,24,25);3,6,8-10,13H,2,4-5,7H2,1H3,(H,26,27);4,7,9-11,14H,3,5-6,8H2,1-2H3,(H,23,24)
InChIKeyZEPXTTJOFJQEEM-UHFFFAOYSA-N
XLogP18.10
TPSA662.33 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002708.87
LogP ≤ 518.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Analyze 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

N-(6-(1-(1-(1H-imidazole-4-carbonyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo(1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538686
tert-butyl N-[4-[(3R)-3-aminopiperidin-1-yl]-6-carbamoyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3R)-1-[3-[[1-[(4-fluorophenyl)methyl]pyrazole-4-carbonyl]amino]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate
CID 117778364
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
N-[5-[5-fluoro-8-[4-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-2-methyl-4-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydro-1,7-naphthyridin-6-yl]-3-pyridinyl]benzamide
CID 145033903
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-1-[[2-[[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564679
(1R,22R,25S)-13-(2-methylpyrimidin-5-yl)-25-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,12,17,18,21-pentazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-16,25-dicarboxamide
CID 149328166
ethane;3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629358
3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629359
(1R,22R,25S)-3-methyl-13-(2-methylpyrimidin-5-yl)-25-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,12,17,18,21-pentazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-16,25-dicarboxamide
CID 156566473
(1R,3S,5R)-2-(2-(3-acetyl-7-methyl-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyr-idin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl)acetyl)-5-methyl-N-(3-methyl-6-(trifluoromethyl)pyridin-2-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 156837386
(1R,3S,5R)-2-(2-(3-acetyl-7-methyl-5-(2-methylpyr-azolo[1,5-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-c]pyr-idin-1-yl)acetyl)-5-methyl-N-(3-methyl-6-(trifluoro-methyl)pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 156837621

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione?
The IUPAC name of 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione (CID 162098984) is 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione.
What is the SMILES notation for 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione?
The canonical SMILES for 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione is CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(-c5ccc(C(F)(F)F)cc5)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C(C)(C)C)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C(F)(F)F)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(C)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4cc(CC)cn4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(-n4nc(C(=O)Nc5cccnc5)cc4C)nc3)nc21.
What is the InChIKey of 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione?
The InChIKey is ZEPXTTJOFJQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O2.C26H25N9O3.C23H27N7O2.C21H23N7O2.C20H18F3N7O2.C20H21N7O2/c1-2-11-34-23-21(24(37)36(25(34)38)19-8-9-19)32-22(33-23)16-5-10-20(30-12-16)35-14-17(13-31-35)15-3-6-18(7-4-15)26(27,28)29;1-3-11-33-23-21(25(37)34(26(33)38)18-7-8-18)30-22(31-23)16-6-9-20(28-13-16)35-15(2)12-19(32-35)24(36)29-17-5-4-10-27-14-17;1-5-10-28-20-18(21(31)30(22(28)32)16-7-8-16)26-19(27-20)14-6-9-17(24-11-14)29-13-15(12-25-29)23(2,3)4;1-3-9-26-19-17(20(29)28(21(26)30)15-6-7-15)24-18(25-19)14-5-8-16(22-11-14)27-12-13(4-2)10-23-27;1-2-7-28-17-15(18(31)30(19(28)32)13-4-5-13)26-16(27-17)11-3-6-14(24-8-11)29-10-12(9-25-29)20(21,22)23;1-3-8-25-18-16(19(28)27(20(25)29)14-5-6-14)23-17(24-18)13-4-7-15(21-10-13)26-11-12(2)9-22-26/h3-7,10,12-14,19H,2,8-9,11H2,1H3,(H,32,33);4-6,9-10,12-14,18H,3,7-8,11H2,1-2H3,(H,29,36)(H,30,31);6,9,11-13,16H,5,7-8,10H2,1-4H3,(H,26,27);5,8,10-12,15H,3-4,6-7,9H2,1-2H3,(H,24,25);3,6,8-10,13H,2,4-5,7H2,1H3,(H,26,27);4,7,9-11,14H,3,5-6,8H2,1-2H3,(H,23,24).
What are the key properties of 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione?
8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione has a molecular weight of 2708.87 g/mol, XLogP of 18.10, 34 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-5-methyl-N-pyridin-3-ylpyrazole-3-carboxamide;1-cyclopropyl-8-[6-(4-ethylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione;1-cyclopropyl-3-propyl-8-[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-7H-purine-2,6-dione is sourced from PubChem (CID 162098984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).