2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C27H24ClFN6O2 — CID 130317720

About 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 130317720) has the molecular formula C27H24ClFN6O2 and a molecular weight of 518.98 g/mol. Its IUPAC name is 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• PubChem CID: 130317720
• Molecular Formula: C27H24ClFN6O2
• Molecular Weight: 518.98 g/mol
• Exact Mass: 518.16
• IUPAC Name: 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• SMILES: CN(C(=O)c1nc(-c2nn(Cc3ccccc3F)c3cc(Cl)ccc23)nc2c1C(C)(C)C(=O)N2)C1CC1
• InChI: InChI=1S/C27H24ClFN6O2/c1-27(2)20-22(25(36)34(3)16-9-10-16)30-24(31-23(20)32-26(27)37)21-17-11-8-15(28)12-19(17)35(33-21)13-14-6-4-5-7-18(14)29/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,30,31,32,37)
• InChIKey: SNKCLYKNXCXLAG-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.98
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The IUPAC name of 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 130317720) is 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The canonical SMILES for 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CN(C(=O)c1nc(-c2nn(Cc3ccccc3F)c3cc(Cl)ccc23)nc2c1C(C)(C)C(=O)N2)C1CC1.

What is the InChIKey of 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The InChIKey is SNKCLYKNXCXLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN6O2/c1-27(2)20-22(25(36)34(3)16-9-10-16)30-24(31-23(20)32-26(27)37)21-17-11-8-15(28)12-19(17)35(33-21)13-14-6-4-5-7-18(14)29/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,30,31,32,37).

What are the key properties of 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 518.98 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-cyclopropyl-N,5,5-trimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 130317720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).