N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H30FN9O — CID 90275586

About N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90275586) has the molecular formula C30H30FN9O and a molecular weight of 551.63 g/mol. Its IUPAC name is N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 90275586
• Molecular Formula: C30H30FN9O
• Molecular Weight: 551.63 g/mol
• Exact Mass: 551.26
• IUPAC Name: N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cc(C2CCN(C3CCN(c4ccc(F)cc4)C3)CC2)nn1-c1ccccn1)c1cnn2cccnc12
• InChI: InChI=1S/C30H30FN9O/c31-22-5-7-23(8-6-22)38-17-11-24(20-38)37-15-9-21(10-16-37)26-18-28(40(36-26)27-4-1-2-12-32-27)35-30(41)25-19-34-39-14-3-13-33-29(25)39/h1-8,12-14,18-19,21,24H,9-11,15-17,20H2,(H,35,41)
• InChIKey: BATRBVSNTFKAMM-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 96.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.63
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90275586) is N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(C2CCN(C3CCN(c4ccc(F)cc4)C3)CC2)nn1-c1ccccn1)c1cnn2cccnc12.

What is the InChIKey of N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BATRBVSNTFKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN9O/c31-22-5-7-23(8-6-22)38-17-11-24(20-38)37-15-9-21(10-16-37)26-18-28(40(36-26)27-4-1-2-12-32-27)35-30(41)25-19-34-39-14-3-13-33-29(25)39/h1-8,12-14,18-19,21,24H,9-11,15-17,20H2,(H,35,41).

What are the key properties of N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 551.63 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90275586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).