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

C20H22N6O2 — CID 133108326

IUPAC[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccc(C2CC(C(=O)N3CCc4[nH]cnc4C3c3ccncc3)NN2)o1
InChIInChI=1S/C20H22N6O2/c1-12-2-3-17(28-12)15-10-16(25-24-15)20(27)26-9-6-14-18(23-11-22-14)19(26)13-4-7-21-8-5-13/h2-5,7-8,11,15-16,19,24-25H,6,9-10H2,1H3,(H,22,23)
InChIKeyQUNBLIUNEJHRJG-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.79
Rot. Bonds3

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

[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 133108326) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID133108326
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccc(C2CC(C(=O)N3CCc4[nH]cnc4C3c3ccncc3)NN2)o1
InChIInChI=1S/C20H22N6O2/c1-12-2-3-17(28-12)15-10-16(25-24-15)20(27)26-9-6-14-18(23-11-22-14)19(26)13-4-7-21-8-5-13/h2-5,7-8,11,15-16,19,24-25H,6,9-10H2,1H3,(H,22,23)
InChIKeyQUNBLIUNEJHRJG-UHFFFAOYSA-N
XLogP1.79
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-propan-2-yl-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 21330714
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 163308528
N-(4-ethoxyphenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145387
3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 99928379
methyl 4-[[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39378080
N-(2,6-difluorophenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145388
4-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-phthalazin-1-one
CID 131914644
methyl 4-methyl-3-[[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51975006
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92595424
4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 131910485
2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145378
cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 70119630

Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 133108326) is [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1ccc(C2CC(C(=O)N3CCc4[nH]cnc4C3c3ccncc3)NN2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QUNBLIUNEJHRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-2-3-17(28-12)15-10-16(25-24-15)20(27)26-9-6-14-18(23-11-22-14)19(26)13-4-7-21-8-5-13/h2-5,7-8,11,15-16,19,24-25H,6,9-10H2,1H3,(H,22,23).
What are the key properties of [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 378.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)pyrazolidin-3-yl]-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 133108326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).