1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide

C27H23Cl2N7O — CID 44907667

About 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 44907667) has the molecular formula C27H23Cl2N7O and a molecular weight of 532.44 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide
• PubChem CID: 44907667
• Molecular Formula: C27H23Cl2N7O
• Molecular Weight: 532.44 g/mol
• Exact Mass: 531.13
• IUPAC Name: 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide
• SMILES: Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1
• InChI: InChI=1S/C27H23Cl2N7O/c1-17-13-23(33-26(37)27(11-2-3-12-27)18-7-9-19(28)10-8-18)36(34-17)25-22-15-32-35(24(22)30-16-31-25)21-6-4-5-20(29)14-21/h4-10,13-16H,2-3,11-12H2,1H3,(H,33,37)
• InChIKey: HXDOYZBTQQFMPG-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.44
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide (CID 44907667) is 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide?

The InChIKey is HXDOYZBTQQFMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N7O/c1-17-13-23(33-26(37)27(11-2-3-12-27)18-7-9-19(28)10-8-18)36(34-17)25-22-15-32-35(24(22)30-16-31-25)21-6-4-5-20(29)14-21/h4-10,13-16H,2-3,11-12H2,1H3,(H,33,37).

What are the key properties of 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide?

1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 532.44 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 44907667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).