4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C105H107N23O7 — CID 158173012

About 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 158173012) has the molecular formula C105H107N23O7 and a molecular weight of 1803.16 g/mol. Its IUPAC name is 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 158173012
• Molecular Formula: C105H107N23O7
• Molecular Weight: 1803.16 g/mol
• Exact Mass: 1801.87
• IUPAC Name: 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(CO)cc4)c[nH]c3n2)c(OC)c1.Cc1ccc(-c2c[nH]c3nc(Nc4cc5cn[nH]c5cc4C)nc(OC4CCCC4)c23)cc1.Cc1ccc(-c2c[nH]c3nc(Nc4ccc5[nH]ncc5c4C)nc(OC4CCCC4)c23)cc1.Cc1ccc(-c2c[nH]c3nc(Nc4ccc5c(cnn5C)c4)nc(OC4CCCC4)c23)cc1
• InChI: InChI=1S/C27H29N5O4.3C26H26N6O/c1-28-25(34)18-11-12-21(22(13-18)35-2)30-27-31-24-23(26(32-27)36-19-5-3-4-6-19)20(14-29-24)17-9-7-16(15-33)8-10-17;1-15-7-9-17(10-8-15)20-14-27-24-23(20)25(33-19-5-3-4-6-19)31-26(30-24)29-21-12-18-13-28-32-22(18)11-16(21)2;1-16-7-9-17(10-8-16)21-15-27-24-23(21)25(33-20-5-3-4-6-20)31-26(30-24)29-19-11-12-22-18(13-19)14-28-32(22)2;1-15-7-9-17(10-8-15)20-13-27-24-23(20)25(33-18-5-3-4-6-18)31-26(30-24)29-21-11-12-22-19(16(21)2)14-28-32-22/h7-14,19,33H,3-6,15H2,1-2H3,(H,28,34)(H2,29,30,31,32);7-14,19H,3-6H2,1-2H3,(H,28,32)(H2,27,29,30,31);7-15,20H,3-6H2,1-2H3,(H2,27,29,30,31);7-14,18H,3-6H2,1-2H3,(H,28,32)(H2,27,29,30,31)
• InChIKey: FXRLVARADJBDFM-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 385.06 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.16
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 158173012) is 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(CO)cc4)c[nH]c3n2)c(OC)c1.Cc1ccc(-c2c[nH]c3nc(Nc4cc5cn[nH]c5cc4C)nc(OC4CCCC4)c23)cc1.Cc1ccc(-c2c[nH]c3nc(Nc4ccc5[nH]ncc5c4C)nc(OC4CCCC4)c23)cc1.Cc1ccc(-c2c[nH]c3nc(Nc4ccc5c(cnn5C)c4)nc(OC4CCCC4)c23)cc1.

What is the InChIKey of 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is FXRLVARADJBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4.3C26H26N6O/c1-28-25(34)18-11-12-21(22(13-18)35-2)30-27-31-24-23(26(32-27)36-19-5-3-4-6-19)20(14-29-24)17-9-7-16(15-33)8-10-17;1-15-7-9-17(10-8-15)20-14-27-24-23(20)25(33-19-5-3-4-6-19)31-26(30-24)29-21-12-18-13-28-32-22(18)11-16(21)2;1-16-7-9-17(10-8-16)21-15-27-24-23(21)25(33-20-5-3-4-6-20)31-26(30-24)29-19-11-12-22-18(13-19)14-28-32(22)2;1-15-7-9-17(10-8-15)20-13-27-24-23(20)25(33-18-5-3-4-6-18)31-26(30-24)29-21-11-12-22-19(16(21)2)14-28-32-22/h7-14,19,33H,3-6,15H2,1-2H3,(H,28,34)(H2,29,30,31,32);7-14,19H,3-6H2,1-2H3,(H,28,32)(H2,27,29,30,31);7-15,20H,3-6H2,1-2H3,(H2,27,29,30,31);7-14,18H,3-6H2,1-2H3,(H,28,32)(H2,27,29,30,31).

What are the key properties of 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 1803.16 g/mol, XLogP of 22.80, 23 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158173012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).