N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C21H20N6O3 — CID 122638580

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

N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 122638580) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• PubChem CID: 122638580
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• SMILES: O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1
• InChI: InChI=1S/C21H20N6O3/c28-15-5-4-14(9-15)27-12-17(20(26-27)16-3-1-2-8-22-16)25-21(29)19-7-6-18(30-19)13-10-23-24-11-13/h1-3,6-8,10-12,14-15,28H,4-5,9H2,(H,23,24)(H,25,29)/t14-,15-/m0/s1
• InChIKey: CSLACUWXYCPAHL-GJZGRUSLSA-N
• XLogP: 3.27
• TPSA: 121.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 122638580) is N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.

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

The InChIKey is CSLACUWXYCPAHL-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-15-5-4-14(9-15)27-12-17(20(26-27)16-3-1-2-8-22-16)25-21(29)19-7-6-18(30-19)13-10-23-24-11-13/h1-3,6-8,10-12,14-15,28H,4-5,9H2,(H,23,24)(H,25,29)/t14-,15-/m0/s1.

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

N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 122638580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).