3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C26H22ClFN4O2 — CID 153468055

About 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 153468055) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 153468055
• Molecular Formula: C26H22ClFN4O2
• Molecular Weight: 476.94 g/mol
• Exact Mass: 476.14
• IUPAC Name: 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: Cc1nn2c(C3CC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)cccc1Cl
• InChI: InChI=1S/C26H22ClFN4O2/c1-14-22(23-18(27)6-4-7-19(23)28)25-29-13-17(24(15-9-10-15)32(25)31-14)26(33)30-20-11-12-34-21-8-3-2-5-16(20)21/h2-8,13,15,20H,9-12H2,1H3,(H,30,33)/t20-/m0/s1
• InChIKey: ICJBPLPDDFGGPL-FQEVSTJZSA-N
• XLogP: 5.63
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.94
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 153468055) is 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(C3CC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)cccc1Cl.

What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is ICJBPLPDDFGGPL-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c1-14-22(23-18(27)6-4-7-19(23)28)25-29-13-17(24(15-9-10-15)32(25)31-14)26(33)30-20-11-12-34-21-8-3-2-5-16(20)21/h2-8,13,15,20H,9-12H2,1H3,(H,30,33)/t20-/m0/s1.

What are the key properties of 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-fluorophenyl)-7-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 153468055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).