2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride

C20H20ClFN6O — CID 168879122

IUPAC2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride
SMILESCc1nc(N2CC[C@@H](F)C2)ccc1-c1cc2n(n1)C(=O)N(c1cccnc1)C2.Cl
InChIInChI=1S/C20H19FN6O.ClH/c1-13-17(4-5-19(23-13)25-8-6-14(21)11-25)18-9-16-12-26(20(28)27(16)24-18)15-3-2-7-22-10-15;/h2-5,7,9-10,14H,6,8,11-12H2,1H3;1H/t14-;/m1./s1
InChIKeyQOVTXSZBPKSQPM-PFEQFJNWSA-N
MW414.87 g/mol
LogP3.61
Rot. Bonds3

About 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride

2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride (PubChem CID 168879122) has the molecular formula C20H20ClFN6O and a molecular weight of 414.87 g/mol. Its IUPAC name is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride.

Molecular Properties

Compound Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride
PubChem CID168879122
Molecular FormulaC20H20ClFN6O
Molecular Weight414.87 g/mol
Exact Mass414.14
IUPAC Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride
SMILESCc1nc(N2CC[C@@H](F)C2)ccc1-c1cc2n(n1)C(=O)N(c1cccnc1)C2.Cl
InChIInChI=1S/C20H19FN6O.ClH/c1-13-17(4-5-19(23-13)25-8-6-14(21)11-25)18-9-16-12-26(20(28)27(16)24-18)15-3-2-7-22-10-15;/h2-5,7,9-10,14H,6,8,11-12H2,1H3;1H/t14-;/m1./s1
InChIKeyQOVTXSZBPKSQPM-PFEQFJNWSA-N
XLogP3.61
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride with MolForge

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Related Compounds

5-pyridin-3-yl-2-(5-pyrrolidin-1-ylpyrazin-2-yl)-4H-imidazo[5,1-e]pyrazol-6-one
CID 168879254
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 176622290
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-1,2-dihydropyridazin-3-yl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878804
2-[2-fluoro-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
CID 177360550
2-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489054
2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489074
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
CID 172915744
2,5-bis(4-methylphenyl)-4H-imidazo[5,1-e]pyrazol-6-one
CID 155934961
(3aS,7aS)-2-(6-methylpyridazin-3-yl)-5-pyridin-3-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403111
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 177360567
6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride
CID 171801653
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride?
The IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride (CID 168879122) is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride.
What is the SMILES notation for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride?
The canonical SMILES for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride is Cc1nc(N2CC[C@@H](F)C2)ccc1-c1cc2n(n1)C(=O)N(c1cccnc1)C2.Cl.
What is the InChIKey of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride?
The InChIKey is QOVTXSZBPKSQPM-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H19FN6O.ClH/c1-13-17(4-5-19(23-13)25-8-6-14(21)11-25)18-9-16-12-26(20(28)27(16)24-18)15-3-2-7-22-10-15;/h2-5,7,9-10,14H,6,8,11-12H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride?
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride has a molecular weight of 414.87 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride is sourced from PubChem (CID 168879122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).