3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C26H23ClN4O — CID 153468086

About 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 153468086) has the molecular formula C26H23ClN4O and a molecular weight of 442.95 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 153468086
• Molecular Formula: C26H23ClN4O
• Molecular Weight: 442.95 g/mol
• Exact Mass: 442.16
• IUPAC Name: 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: Cc1nn2c(C3CC3)c(C(=O)N[C@H]3CCc4ccccc43)cnc2c1-c1ccccc1Cl
• InChI: InChI=1S/C26H23ClN4O/c1-15-23(19-8-4-5-9-21(19)27)25-28-14-20(24(17-10-11-17)31(25)30-15)26(32)29-22-13-12-16-6-2-3-7-18(16)22/h2-9,14,17,22H,10-13H2,1H3,(H,29,32)/t22-/m0/s1
• InChIKey: KQNYZBBVWBKOBN-QFIPXVFZSA-N
• XLogP: 5.65
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.95
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 153468086) is 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(C3CC3)c(C(=O)N[C@H]3CCc4ccccc43)cnc2c1-c1ccccc1Cl.

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

The InChIKey is KQNYZBBVWBKOBN-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H23ClN4O/c1-15-23(19-8-4-5-9-21(19)27)25-28-14-20(24(17-10-11-17)31(25)30-15)26(32)29-22-13-12-16-6-2-3-7-18(16)22/h2-9,14,17,22H,10-13H2,1H3,(H,29,32)/t22-/m0/s1.

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

3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 153468086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).