3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

C20H19N5O2 — CID 95204512

About 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 95204512) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• PubChem CID: 95204512
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• SMILES: Oc1cccc([C@H]2c3nc[nH]c3CCN2Cc2ccc(-c3ccn[nH]3)o2)c1
• InChI: InChI=1S/C20H19N5O2/c26-14-3-1-2-13(10-14)20-19-17(21-12-22-19)7-9-25(20)11-15-4-5-18(27-15)16-6-8-23-24-16/h1-6,8,10,12,20,26H,7,9,11H2,(H,21,22)(H,23,24)/t20-/m0/s1
• InChIKey: FSEFAUNEQAPUFX-FQEVSTJZSA-N
• XLogP: 3.25
• TPSA: 93.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The IUPAC name of 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (CID 95204512) is 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

What is the SMILES notation for 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The canonical SMILES for 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is Oc1cccc([C@H]2c3nc[nH]c3CCN2Cc2ccc(-c3ccn[nH]3)o2)c1.

What is the InChIKey of 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The InChIKey is FSEFAUNEQAPUFX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-14-3-1-2-13(10-14)20-19-17(21-12-22-19)7-9-25(20)11-15-4-5-18(27-15)16-6-8-23-24-16/h1-6,8,10,12,20,26H,7,9,11H2,(H,21,22)(H,23,24)/t20-/m0/s1.

What are the key properties of 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 361.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 95204512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).