N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H29N9O2 — CID 66557142

About N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66557142) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 66557142
• Molecular Formula: C25H29N9O2
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.24
• IUPAC Name: N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-n2nc(N3CCN(C4CCOCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
• InChI: InChI=1S/C25H29N9O2/c1-18-3-4-21(27-16-18)34-22(29-25(35)20-17-28-33-8-2-7-26-24(20)33)15-23(30-34)32-11-9-31(10-12-32)19-5-13-36-14-6-19/h2-4,7-8,15-17,19H,5-6,9-14H2,1H3,(H,29,35)
• InChIKey: KFGPSRYBPKAUNB-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 105.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66557142) is N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(N3CCN(C4CCOCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.

What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KFGPSRYBPKAUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-18-3-4-21(27-16-18)34-22(29-25(35)20-17-28-33-8-2-7-26-24(20)33)15-23(30-34)32-11-9-31(10-12-32)19-5-13-36-14-6-19/h2-4,7-8,15-17,19H,5-6,9-14H2,1H3,(H,29,35).

What are the key properties of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66557142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).