4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C142H166N30O13 — CID 161037161

IUPAC4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCc1cc(-c2cnn3c(NCC4CCOCC4)cc(NC4CCCC4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCC4CCOCC4)cc(NC4CCCCC4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCC4CCOCC4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)ccc1C(=O)NC1CC1.O=C(NC1CC1)c1ccc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)cc1
InChIInChI=1S/C29H32N6O3.C29H38N6O2.2C28H30N6O3.C28H36N6O2/c1-20-17-21(7-10-24(20)29(36)32-22-8-9-22)25-19-31-35-26(30-11-12-34-13-15-37-16-14-34)18-27(33-28(25)35)38-23-5-3-2-4-6-23;1-19-15-21(7-10-24(19)29(36)33-23-8-9-23)25-18-31-35-27(30-17-20-11-13-37-14-12-20)16-26(34-28(25)35)32-22-5-3-2-4-6-22;1-18-13-20(4-7-23(18)28(35)32-21-5-6-21)24-17-31-34-25(30-15-19-8-11-36-12-9-19)14-26(33-27(24)34)37-22-3-2-10-29-16-22;35-28(31-22-10-11-22)21-8-6-20(7-9-21)24-19-30-34-25(29-12-13-33-14-16-36-17-15-33)18-26(32-27(24)34)37-23-4-2-1-3-5-23;1-18-14-20(6-9-23(18)28(35)32-22-7-8-22)24-17-30-34-26(29-16-19-10-12-36-13-11-19)15-25(33-27(24)34)31-21-4-2-3-5-21/h2-7,10,17-19,22,30H,8-9,11-16H2,1H3,(H,32,36);7,10,15-16,18,20,22-23,30H,2-6,8-9,11-14,17H2,1H3,(H,32,34)(H,33,36);2-4,7,10,13-14,16-17,19,21,30H,5-6,8-9,11-12,15H2,1H3,(H,32,35);1-9,18-19,22,29H,10-17H2,(H,31,35);6,9,14-15,17,19,21-22,29H,2-5,7-8,10-13,16H2,1H3,(H,31,33)(H,32,35)
InChIKeyUAKBESJAQDNUGU-UHFFFAOYSA-N
MW2501.09 g/mol
LogP22.55
Rot. Bonds42

About 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide

4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 161037161) has the molecular formula C142H166N30O13 and a molecular weight of 2501.09 g/mol. Its IUPAC name is 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID161037161
Molecular FormulaC142H166N30O13
Molecular Weight2501.09 g/mol
Exact Mass2499.33
IUPAC Name4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCc1cc(-c2cnn3c(NCC4CCOCC4)cc(NC4CCCC4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCC4CCOCC4)cc(NC4CCCCC4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCC4CCOCC4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)ccc1C(=O)NC1CC1.O=C(NC1CC1)c1ccc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)cc1
InChIInChI=1S/C29H32N6O3.C29H38N6O2.2C28H30N6O3.C28H36N6O2/c1-20-17-21(7-10-24(20)29(36)32-22-8-9-22)25-19-31-35-26(30-11-12-34-13-15-37-16-14-34)18-27(33-28(25)35)38-23-5-3-2-4-6-23;1-19-15-21(7-10-24(19)29(36)33-23-8-9-23)25-18-31-35-27(30-17-20-11-13-37-14-12-20)16-26(34-28(25)35)32-22-5-3-2-4-6-22;1-18-13-20(4-7-23(18)28(35)32-21-5-6-21)24-17-31-34-25(30-15-19-8-11-36-12-9-19)14-26(33-27(24)34)37-22-3-2-10-29-16-22;35-28(31-22-10-11-22)21-8-6-20(7-9-21)24-19-30-34-25(29-12-13-33-14-16-36-17-15-33)18-26(32-27(24)34)37-23-4-2-1-3-5-23;1-18-14-20(6-9-23(18)28(35)32-22-7-8-22)24-17-30-34-26(29-16-19-10-12-36-13-11-19)15-25(33-27(24)34)31-21-4-2-3-5-21/h2-7,10,17-19,22,30H,8-9,11-16H2,1H3,(H,32,36);7,10,15-16,18,20,22-23,30H,2-6,8-9,11-14,17H2,1H3,(H,32,34)(H,33,36);2-4,7,10,13-14,16-17,19,21,30H,5-6,8-9,11-12,15H2,1H3,(H,32,35);1-9,18-19,22,29H,10-17H2,(H,31,35);6,9,14-15,17,19,21-22,29H,2-5,7-8,10-13,16H2,1H3,(H,31,33)(H,32,35)
InChIKeyUAKBESJAQDNUGU-UHFFFAOYSA-N
XLogP22.55
TPSA473.87 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002501.09
LogP ≤ 522.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide with MolForge

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Related Compounds

N-Cyclopropyl-2-Methyl-4-(7-{[2-(Morpholin-4-Yl)ethyl]amino}-5-Phenoxypyrazolo[1,5-A]pyrimidin-3-Yl)benzamide
CID 90176196
N-cyclopropyl-4-[7-[(4-hydroxycyclohexyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 90176191
(E)-N-[2-[4-amino-6-[3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-5-fluoro-2-methylphenyl]pyrimidin-5-yl]oxyethyl]-4-[4-[2-[2-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-methylbut-2-enamide
CID 176733052
(E)-N-[2-[4-amino-6-[3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-5-fluoro-2-methylphenyl]pyrimidin-5-yl]oxyethyl]-4-[3-[4-[3-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]propyl-methylamino]-N-methylbut-2-enamide
CID 176733057
N-cyclopropyl-4-[7-[(4-fluoro-1-methylpiperidin-4-yl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 90176217
N-cyclopropyl-4-[5-[(5-fluoro-3-pyridinyl)oxy]-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118458729
4-[7-(cyclohexylmethylamino)-5-[(5-fluoro-3-pyridinyl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 137395805
N-(2-amino-2-methylpropyl)-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 157401075
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157975420
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide
CID 158186786

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 161037161) is 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide is Cc1cc(-c2cnn3c(NCC4CCOCC4)cc(NC4CCCC4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCC4CCOCC4)cc(NC4CCCCC4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCC4CCOCC4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)ccc1C(=O)NC1CC1.O=C(NC1CC1)c1ccc(-c2cnn3c(NCCN4CCOCC4)cc(Oc4ccccc4)nc23)cc1.
What is the InChIKey of 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is UAKBESJAQDNUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3.C29H38N6O2.2C28H30N6O3.C28H36N6O2/c1-20-17-21(7-10-24(20)29(36)32-22-8-9-22)25-19-31-35-26(30-11-12-34-13-15-37-16-14-34)18-27(33-28(25)35)38-23-5-3-2-4-6-23;1-19-15-21(7-10-24(19)29(36)33-23-8-9-23)25-18-31-35-27(30-17-20-11-13-37-14-12-20)16-26(34-28(25)35)32-22-5-3-2-4-6-22;1-18-13-20(4-7-23(18)28(35)32-21-5-6-21)24-17-31-34-25(30-15-19-8-11-36-12-9-19)14-26(33-27(24)34)37-22-3-2-10-29-16-22;35-28(31-22-10-11-22)21-8-6-20(7-9-21)24-19-30-34-25(29-12-13-33-14-16-36-17-15-33)18-26(32-27(24)34)37-23-4-2-1-3-5-23;1-18-14-20(6-9-23(18)28(35)32-22-7-8-22)24-17-30-34-26(29-16-19-10-12-36-13-11-19)15-25(33-27(24)34)31-21-4-2-3-5-21/h2-7,10,17-19,22,30H,8-9,11-16H2,1H3,(H,32,36);7,10,15-16,18,20,22-23,30H,2-6,8-9,11-14,17H2,1H3,(H,32,34)(H,33,36);2-4,7,10,13-14,16-17,19,21,30H,5-6,8-9,11-12,15H2,1H3,(H,32,35);1-9,18-19,22,29H,10-17H2,(H,31,35);6,9,14-15,17,19,21-22,29H,2-5,7-8,10-13,16H2,1H3,(H,31,33)(H,32,35).
What are the key properties of 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 2501.09 g/mol, XLogP of 22.55, 42 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-cyclopropyl-4-[7-(2-morpholin-4-ylethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 161037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).