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

C20H18N6O2 — CID 97151262

IUPAC[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3ccccn3)n[nH]2)o1
InChIInChI=1S/C20H18N6O2/c1-12-5-6-17(28-12)15-10-16(25-24-15)20(27)26-9-7-13-18(23-11-22-13)19(26)14-4-2-3-8-21-14/h2-6,8,10-11,19H,7,9H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKeyFFHDUOMBKKWKIZ-IBGZPJMESA-N
MW374.40 g/mol
LogP2.88
Rot. Bonds3

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

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97151262) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID97151262
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3ccccn3)n[nH]2)o1
InChIInChI=1S/C20H18N6O2/c1-12-5-6-17(28-12)15-10-16(25-24-15)20(27)26-9-7-13-18(23-11-22-13)19(26)14-4-2-3-8-21-14/h2-6,8,10-11,19H,7,9H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKeyFFHDUOMBKKWKIZ-IBGZPJMESA-N
XLogP2.88
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 97151262) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3ccccn3)n[nH]2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is FFHDUOMBKKWKIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-5-6-17(28-12)15-10-16(25-24-15)20(27)26-9-7-13-18(23-11-22-13)19(26)14-4-2-3-8-21-14/h2-6,8,10-11,19H,7,9H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1.
What are the key properties of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97151262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).