N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide

C101H109ClFN23O5 — CID 160909798

About N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide

N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 160909798) has the molecular formula C101H109ClFN23O5 and a molecular weight of 1779.59 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 160909798
• Molecular Formula: C101H109ClFN23O5
• Molecular Weight: 1779.59 g/mol
• Exact Mass: 1777.87
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: COc1cccc([C@@H](C)NC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(C)cc5)cc34)CC2)c1.Cc1ccc(-c2cc3c(N4CCN(C(=O)CC5CCCC5)CC4)ncnc3[nH]2)cc1.Cc1ccc(-c2cc3c(N4CCN(C(=O)NCc5ccccc5Cl)CC4)ncnc3[nH]2)cc1.Cc1ccc(CNC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(F)cc5)cc34)CC2)cc1
• InChI: InChI=1S/C27H30N6O2.C25H25ClN6O.C25H25FN6O.C24H29N5O/c1-18-7-9-20(10-8-18)24-16-23-25(31-24)28-17-29-26(23)32-11-13-33(14-12-32)27(34)30-19(2)21-5-4-6-22(15-21)35-3;1-17-6-8-18(9-7-17)22-14-20-23(30-22)28-16-29-24(20)31-10-12-32(13-11-31)25(33)27-15-19-4-2-3-5-21(19)26;1-17-2-4-18(5-3-17)15-27-25(33)32-12-10-31(11-13-32)24-21-14-22(30-23(21)28-16-29-24)19-6-8-20(26)9-7-19;1-17-6-8-19(9-7-17)21-15-20-23(27-21)25-16-26-24(20)29-12-10-28(11-13-29)22(30)14-18-4-2-3-5-18/h4-10,15-17,19H,11-14H2,1-3H3,(H,30,34)(H,28,29,31);2*2-9,14,16H,10-13,15H2,1H3,(H,27,33)(H,28,29,30);6-9,15-16,18H,2-5,10-14H2,1H3,(H,25,26,27)/t19-;;;/m1.../s1
• InChIKey: SQPVQDARUSYUEB-RGFWRHHQSA-N
• XLogP: 17.42
• TPSA: 305.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1779.59
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide (CID 160909798) is N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide is COc1cccc([C@@H](C)NC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(C)cc5)cc34)CC2)c1.Cc1ccc(-c2cc3c(N4CCN(C(=O)CC5CCCC5)CC4)ncnc3[nH]2)cc1.Cc1ccc(-c2cc3c(N4CCN(C(=O)NCc5ccccc5Cl)CC4)ncnc3[nH]2)cc1.Cc1ccc(CNC(=O)N2CCN(c3ncnc4[nH]c(-c5ccc(F)cc5)cc34)CC2)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide?

The InChIKey is SQPVQDARUSYUEB-RGFWRHHQSA-N. The full InChI is InChI=1S/C27H30N6O2.C25H25ClN6O.C25H25FN6O.C24H29N5O/c1-18-7-9-20(10-8-18)24-16-23-25(31-24)28-17-29-26(23)32-11-13-33(14-12-32)27(34)30-19(2)21-5-4-6-22(15-21)35-3;1-17-6-8-18(9-7-17)22-14-20-23(30-22)28-16-29-24(20)31-10-12-32(13-11-31)25(33)27-15-19-4-2-3-5-21(19)26;1-17-2-4-18(5-3-17)15-27-25(33)32-12-10-31(11-13-32)24-21-14-22(30-23(21)28-16-29-24)19-6-8-20(26)9-7-19;1-17-6-8-19(9-7-17)21-15-20-23(27-21)25-16-26-24(20)29-12-10-28(11-13-29)22(30)14-18-4-2-3-5-18/h4-10,15-17,19H,11-14H2,1-3H3,(H,30,34)(H,28,29,31);2*2-9,14,16H,10-13,15H2,1H3,(H,27,33)(H,28,29,30);6-9,15-16,18H,2-5,10-14H2,1H3,(H,25,26,27)/t19-;;;/m1.../s1.

What are the key properties of N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide?

N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 1779.59 g/mol, XLogP of 17.42, 17 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;2-cyclopentyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide;N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 160909798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).