3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one

C138H144ClN23O15 — CID 159840420

About 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one

3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one (PubChem CID 159840420) has the molecular formula C138H144ClN23O15 and a molecular weight of 2400.27 g/mol. Its IUPAC name is 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one.

Molecular Properties

• Compound Name: 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one
• PubChem CID: 159840420
• Molecular Formula: C138H144ClN23O15
• Molecular Weight: 2400.27 g/mol
• Exact Mass: 2398.09
• IUPAC Name: 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one
• SMILES: CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C(=O)N(C)C)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccn[nH]2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cnn(C)c2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5[nH]ccc5c4)c[nH]c3n2)c(OC)c1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc4c(c3)N=C(C)C4)c12
• InChI: InChI=1S/C32H35N3O4.C28H28N6O3.C27H30N4O3.C26H28N4O3.C25H23ClN6O2/c1-5-27(36)22-14-15-23(28(18-22)38-4)19-29-33-26-17-16-25(20-10-12-21(13-11-20)32(37)35(2)3)30(26)31(34-29)39-24-8-6-7-9-24;1-29-26(35)18-8-10-22(23(14-18)36-2)32-28-33-25-24(27(34-28)37-19-5-3-4-6-19)20(15-31-25)16-7-9-21-17(13-16)11-12-30-21;1-4-23(32)17-9-10-18(24(13-17)33-3)14-25-29-22-12-11-21(19-15-28-31(2)16-19)26(22)27(30-25)34-20-7-5-6-8-20;1-3-22(31)16-8-9-17(23(14-16)32-2)15-24-28-21-11-10-19(20-12-13-27-30-20)25(21)26(29-24)33-18-6-4-5-7-18;1-13-9-15-6-5-14(11-20(15)28-13)17-12-27-22-21(17)23(34-4)31-25(30-22)29-19-8-7-16(10-18(19)26)24(33)32(2)3/h10-16,18,24H,5-9,17,19H2,1-4H3;7-15,19,30H,3-6H2,1-2H3,(H,29,35)(H2,31,32,33,34);9-11,13,15-16,20H,4-8,12,14H2,1-3H3;8-10,12-14,18H,3-7,11,15H2,1-2H3,(H,27,30);5-8,10-12H,9H2,1-4H3,(H2,27,29,30,31)
• InChIKey: NOPJKVWZWMRTAD-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 463.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2400.27
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?

The IUPAC name of 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one (CID 159840420) is 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one.

What is the SMILES notation for 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?

The canonical SMILES for 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one is CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C(=O)N(C)C)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccn[nH]2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cnn(C)c2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5[nH]ccc5c4)c[nH]c3n2)c(OC)c1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc4c(c3)N=C(C)C4)c12.

What is the InChIKey of 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?

The InChIKey is NOPJKVWZWMRTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4.C28H28N6O3.C27H30N4O3.C26H28N4O3.C25H23ClN6O2/c1-5-27(36)22-14-15-23(28(18-22)38-4)19-29-33-26-17-16-25(20-10-12-21(13-11-20)32(37)35(2)3)30(26)31(34-29)39-24-8-6-7-9-24;1-29-26(35)18-8-10-22(23(14-18)36-2)32-28-33-25-24(27(34-28)37-19-5-3-4-6-19)20(15-31-25)16-7-9-21-17(13-16)11-12-30-21;1-4-23(32)17-9-10-18(24(13-17)33-3)14-25-29-22-12-11-21(19-15-28-31(2)16-19)26(22)27(30-25)34-20-7-5-6-8-20;1-3-22(31)16-8-9-17(23(14-16)32-2)15-24-28-21-11-10-19(20-12-13-27-30-20)25(21)26(29-24)33-18-6-4-5-7-18;1-13-9-15-6-5-14(11-20(15)28-13)17-12-27-22-21(17)23(34-4)31-25(30-22)29-19-8-7-16(10-18(19)26)24(33)32(2)3/h10-16,18,24H,5-9,17,19H2,1-4H3;7-15,19,30H,3-6H2,1-2H3,(H,29,35)(H2,31,32,33,34);9-11,13,15-16,20H,4-8,12,14H2,1-3H3;8-10,12-14,18H,3-7,11,15H2,1-2H3,(H,27,30);5-8,10-12H,9H2,1-4H3,(H2,27,29,30,31).

What are the key properties of 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?

3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one has a molecular weight of 2400.27 g/mol, XLogP of 26.01, 37 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one is sourced from PubChem (CID 159840420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).