3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide

C135H141ClF4N34O18 — CID 159341814

IUPAC3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4cccc(C(F)(F)F)c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4cccc(Cl)c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4ccccc4F)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCc4ccccc4)C(=O)c4ccccc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCc4ccccn4)C(C)=O)nc3)nc21
InChIInChI=1S/C31H30N6O3.C27H28F3N7O4.C26H28ClN7O4.C26H28FN7O4.C25H27N7O3/c1-2-18-36-28-26(30(39)37(31(36)40)24-14-15-24)33-27(34-28)23-13-16-25(32-20-23)35(19-17-21-9-5-3-6-10-21)29(38)22-11-7-4-8-12-22;1-3-11-36-23-21(24(38)37(26(36)40)19-8-9-19)33-22(34-23)16-7-10-20(31-15-16)35(12-13-41-2)25(39)32-18-6-4-5-17(14-18)27(28,29)30;1-3-11-33-23-21(24(35)34(26(33)37)19-8-9-19)30-22(31-23)16-7-10-20(28-15-16)32(12-13-38-2)25(36)29-18-6-4-5-17(27)14-18;1-3-12-33-23-21(24(35)34(26(33)37)17-9-10-17)30-22(31-23)16-8-11-20(28-15-16)32(13-14-38-2)25(36)29-19-7-5-4-6-18(19)27;1-3-13-31-23-21(24(34)32(25(31)35)19-8-9-19)28-22(29-23)17-7-10-20(27-15-17)30(16(2)33)14-11-18-6-4-5-12-26-18/h3-13,16,20,24H,2,14-15,17-19H2,1H3,(H,33,34);4-7,10,14-15,19H,3,8-9,11-13H2,1-2H3,(H,32,39)(H,33,34);4-7,10,14-15,19H,3,8-9,11-13H2,1-2H3,(H,29,36)(H,30,31);4-8,11,15,17H,3,9-10,12-14H2,1-2H3,(H,29,36)(H,30,31);4-7,10,12,15,19H,3,8-9,11,13-14H2,1-2H3,(H,28,29)
InChIKeyLGFSCYBXDFIJAZ-UHFFFAOYSA-N
MW2639.28 g/mol
LogP19.21
Rot. Bonds44

About 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide

3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 159341814) has the molecular formula C135H141ClF4N34O18 and a molecular weight of 2639.28 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID159341814
Molecular FormulaC135H141ClF4N34O18
Molecular Weight2639.28 g/mol
Exact Mass2637.08
IUPAC Name3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4cccc(C(F)(F)F)c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4cccc(Cl)c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4ccccc4F)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCc4ccccc4)C(=O)c4ccccc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCc4ccccn4)C(C)=O)nc3)nc21
InChIInChI=1S/C31H30N6O3.C27H28F3N7O4.C26H28ClN7O4.C26H28FN7O4.C25H27N7O3/c1-2-18-36-28-26(30(39)37(31(36)40)24-14-15-24)33-27(34-28)23-13-16-25(32-20-23)35(19-17-21-9-5-3-6-10-21)29(38)22-11-7-4-8-12-22;1-3-11-36-23-21(24(38)37(26(36)40)19-8-9-19)33-22(34-23)16-7-10-20(31-15-16)35(12-13-41-2)25(39)32-18-6-4-5-17(14-18)27(28,29)30;1-3-11-33-23-21(24(35)34(26(33)37)19-8-9-19)30-22(31-23)16-7-10-20(28-15-16)32(12-13-38-2)25(36)29-18-6-4-5-17(27)14-18;1-3-12-33-23-21(24(35)34(26(33)37)17-9-10-17)30-22(31-23)16-8-11-20(28-15-16)32(13-14-38-2)25(36)29-19-7-5-4-6-18(19)27;1-3-13-31-23-21(24(34)32(25(31)35)19-8-9-19)28-22(29-23)17-7-10-20(27-15-17)30(16(2)33)14-11-18-6-4-5-12-26-18/h3-13,16,20,24H,2,14-15,17-19H2,1H3,(H,33,34);4-7,10,14-15,19H,3,8-9,11-13H2,1-2H3,(H,32,39)(H,33,34);4-7,10,14-15,19H,3,8-9,11-13H2,1-2H3,(H,29,36)(H,30,31);4-8,11,15,17H,3,9-10,12-14H2,1-2H3,(H,29,36)(H,30,31);4-7,10,12,15,19H,3,8-9,11,13-14H2,1-2H3,(H,28,29)
InChIKeyLGFSCYBXDFIJAZ-UHFFFAOYSA-N
XLogP19.21
TPSA606.07 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds44
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002639.28
LogP ≤ 519.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 25007833
4-fluoro-N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 166502828
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)benzimidazole-1-carboxamide
CID 11997212
N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide
CID 167256361
6-fluoro-N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 167256442
methyl 2-[[5-(1,3-dicyclopropyl-2,6-dioxo-7H-purin-8-yl)pyridine-2-carbonyl]amino]-3-phenylpropanoate
CID 123552130
N-[5-[3-(2-acetamidoethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-4-fluoro-N-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]benzamide
CID 167256226
N-[5-[1-(3-methoxypropyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 166502866
N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
CID 167255708
3-(3-acetylphenyl)-1-(2-methoxyethyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
CID 24732195
1-cyclopropyl-3-propyl-8-[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]-7H-purine-2,6-dione
CID 59648331
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide (CID 159341814) is 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide is CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4cccc(C(F)(F)F)c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4cccc(Cl)c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)Nc4ccccc4F)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCc4ccccc4)C(=O)c4ccccc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCc4ccccn4)C(C)=O)nc3)nc21.
What is the InChIKey of 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is LGFSCYBXDFIJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O3.C27H28F3N7O4.C26H28ClN7O4.C26H28FN7O4.C25H27N7O3/c1-2-18-36-28-26(30(39)37(31(36)40)24-14-15-24)33-27(34-28)23-13-16-25(32-20-23)35(19-17-21-9-5-3-6-10-21)29(38)22-11-7-4-8-12-22;1-3-11-36-23-21(24(38)37(26(36)40)19-8-9-19)33-22(34-23)16-7-10-20(31-15-16)35(12-13-41-2)25(39)32-18-6-4-5-17(14-18)27(28,29)30;1-3-11-33-23-21(24(35)34(26(33)37)19-8-9-19)30-22(31-23)16-7-10-20(28-15-16)32(12-13-38-2)25(36)29-18-6-4-5-17(27)14-18;1-3-12-33-23-21(24(35)34(26(33)37)17-9-10-17)30-22(31-23)16-8-11-20(28-15-16)32(13-14-38-2)25(36)29-19-7-5-4-6-18(19)27;1-3-13-31-23-21(24(34)32(25(31)35)19-8-9-19)28-22(29-23)17-7-10-20(27-15-17)30(16(2)33)14-11-18-6-4-5-12-26-18/h3-13,16,20,24H,2,14-15,17-19H2,1H3,(H,33,34);4-7,10,14-15,19H,3,8-9,11-13H2,1-2H3,(H,32,39)(H,33,34);4-7,10,14-15,19H,3,8-9,11-13H2,1-2H3,(H,29,36)(H,30,31);4-8,11,15,17H,3,9-10,12-14H2,1-2H3,(H,29,36)(H,30,31);4-7,10,12,15,19H,3,8-9,11,13-14H2,1-2H3,(H,28,29).
What are the key properties of 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide?
3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 2639.28 g/mol, XLogP of 19.21, 44 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 159341814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).