N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C24H27N7O3 — CID 135258042

About N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 135258042) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• PubChem CID: 135258042
• Molecular Formula: C24H27N7O3
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.22
• IUPAC Name: N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• SMILES: CC(C)(C)C(O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1
• InChI: InChI=1S/C24H27N7O3/c1-24(2,3)23(33)30-12-16(13-30)31-14-18(21(29-31)17-6-4-5-9-25-17)28-22(32)20-8-7-19(34-20)15-10-26-27-11-15/h4-11,14,16,23,33H,12-13H2,1-3H3,(H,26,27)(H,28,32)
• InChIKey: NVNNVXJXCFISDE-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 125.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

The IUPAC name of N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 135258042) is N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

What is the SMILES notation for N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

The canonical SMILES for N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is CC(C)(C)C(O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.

What is the InChIKey of N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

The InChIKey is NVNNVXJXCFISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-24(2,3)23(33)30-12-16(13-30)31-14-18(21(29-31)17-6-4-5-9-25-17)28-22(32)20-8-7-19(34-20)15-10-26-27-11-15/h4-11,14,16,23,33H,12-13H2,1-3H3,(H,26,27)(H,28,32).

What are the key properties of N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 135258042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).