4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide

C121H131Cl5N26O12 — CID 158271561

About 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide

4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide (PubChem CID 158271561) has the molecular formula C121H131Cl5N26O12 and a molecular weight of 2318.81 g/mol. Its IUPAC name is 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
• PubChem CID: 158271561
• Molecular Formula: C121H131Cl5N26O12
• Molecular Weight: 2318.81 g/mol
• Exact Mass: 2314.89
• IUPAC Name: 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
• SMILES: CN(C)C(=O)C1CCC(Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1.CNC(=O)C1CCC(Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1.O=C(c1ccccc1Cl)c1c[nH]c2ncnc(NC3CCC(C(=O)NC4CCOCC4)CC3)c12.O=C(c1ccccc1Cl)c1c[nH]c2ncnc(NC3CCC(C(=O)NCC4CCOCC4)CC3)c12.O=C(c1ccccc1Cl)c1c[nH]c2ncnc(NC3CCC(C(=O)NCCc4cccnc4)CC3)c12
• InChI: InChI=1S/C27H27ClN6O2.C26H30ClN5O3.C25H28ClN5O3.C22H24ClN5O2.C21H22ClN5O2/c28-22-6-2-1-5-20(22)24(35)21-15-31-25-23(21)26(33-16-32-25)34-19-9-7-18(8-10-19)27(36)30-13-11-17-4-3-12-29-14-17;27-21-4-2-1-3-19(21)23(33)20-14-28-24-22(20)25(31-15-30-24)32-18-7-5-17(6-8-18)26(34)29-13-16-9-11-35-12-10-16;26-20-4-2-1-3-18(20)22(32)19-13-27-23-21(19)24(29-14-28-23)30-16-7-5-15(6-8-16)25(33)31-17-9-11-34-12-10-17;1-28(2)22(30)13-7-9-14(10-8-13)27-21-18-16(11-24-20(18)25-12-26-21)19(29)15-5-3-4-6-17(15)23;1-23-21(29)12-6-8-13(9-7-12)27-20-17-15(10-24-19(17)25-11-26-20)18(28)14-4-2-3-5-16(14)22/h1-6,12,14-16,18-19H,7-11,13H2,(H,30,36)(H2,31,32,33,34);1-4,14-18H,5-13H2,(H,29,34)(H2,28,30,31,32);1-4,13-17H,5-12H2,(H,31,33)(H2,27,28,29,30);3-6,11-14H,7-10H2,1-2H3,(H2,24,25,26,27);2-5,10-13H,6-9H2,1H3,(H,23,29)(H2,24,25,26,27)
• InChIKey: GJCAZKNUKWHRJP-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 521.41 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.81
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?

The IUPAC name of 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide (CID 158271561) is 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?

The canonical SMILES for 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1.CNC(=O)C1CCC(Nc2ncnc3[nH]cc(C(=O)c4ccccc4Cl)c23)CC1.O=C(c1ccccc1Cl)c1c[nH]c2ncnc(NC3CCC(C(=O)NC4CCOCC4)CC3)c12.O=C(c1ccccc1Cl)c1c[nH]c2ncnc(NC3CCC(C(=O)NCC4CCOCC4)CC3)c12.O=C(c1ccccc1Cl)c1c[nH]c2ncnc(NC3CCC(C(=O)NCCc4cccnc4)CC3)c12.

What is the InChIKey of 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?

The InChIKey is GJCAZKNUKWHRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O2.C26H30ClN5O3.C25H28ClN5O3.C22H24ClN5O2.C21H22ClN5O2/c28-22-6-2-1-5-20(22)24(35)21-15-31-25-23(21)26(33-16-32-25)34-19-9-7-18(8-10-19)27(36)30-13-11-17-4-3-12-29-14-17;27-21-4-2-1-3-19(21)23(33)20-14-28-24-22(20)25(31-15-30-24)32-18-7-5-17(6-8-18)26(34)29-13-16-9-11-35-12-10-16;26-20-4-2-1-3-18(20)22(32)19-13-27-23-21(19)24(29-14-28-23)30-16-7-5-15(6-8-16)25(33)31-17-9-11-34-12-10-17;1-28(2)22(30)13-7-9-14(10-8-13)27-21-18-16(11-24-20(18)25-12-26-21)19(29)15-5-3-4-6-17(15)23;1-23-21(29)12-6-8-13(9-7-12)27-20-17-15(10-24-19(17)25-11-26-20)18(28)14-4-2-3-5-16(14)22/h1-6,12,14-16,18-19H,7-11,13H2,(H,30,36)(H2,31,32,33,34);1-4,14-18H,5-13H2,(H,29,34)(H2,28,30,31,32);1-4,13-17H,5-12H2,(H,31,33)(H2,27,28,29,30);3-6,11-14H,7-10H2,1-2H3,(H2,24,25,26,27);2-5,10-13H,6-9H2,1H3,(H,23,29)(H2,24,25,26,27).

What are the key properties of 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?

4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 2318.81 g/mol, XLogP of 20.49, 31 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide;4-[[5-(2-chlorobenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 158271561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).