(4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H20ClN5O — CID 136882321

IUPAC(4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1cncc1[C@@H]1CC(=O)Nc2c1c(C)nn2Cc1ccccc1Cl
InChIInChI=1S/C19H20ClN5O/c1-3-24-11-21-9-16(24)14-8-17(26)22-19-18(14)12(2)23-25(19)10-13-6-4-5-7-15(13)20/h4-7,9,11,14H,3,8,10H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyWFGWFZWWIKZNLR-AWEZNQCLSA-N
MW369.86 g/mol
LogP3.58
Rot. Bonds4

About (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136882321) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136882321
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name(4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1cncc1[C@@H]1CC(=O)Nc2c1c(C)nn2Cc1ccccc1Cl
InChIInChI=1S/C19H20ClN5O/c1-3-24-11-21-9-16(24)14-8-17(26)22-19-18(14)12(2)23-25(19)10-13-6-4-5-7-15(13)20/h4-7,9,11,14H,3,8,10H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyWFGWFZWWIKZNLR-AWEZNQCLSA-N
XLogP3.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-4-yl)-1-[(2-chlorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169421564
1-[(2-chlorophenyl)methyl]-4-(1,2-thiazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169414820
(4R)-4-(5-acetylthiophen-3-yl)-1-benzyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697855
1-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135529902
(4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697980
3-methyl-4-(5-methyl-1H-imidazol-4-yl)-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420895
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854
1-cyclopentyl-3-methyl-4-[2-(pyrazol-1-ylmethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503607
ethyl 2-[(4S)-4-(2-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136800404
4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 172673520
(4R)-1-(1H-benzimidazol-2-yl)-4-(3,4-dichlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136716381
(4S)-4-(2-chlorophenyl)-3-methyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737428

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136882321) is (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCn1cncc1[C@@H]1CC(=O)Nc2c1c(C)nn2Cc1ccccc1Cl.
What is the InChIKey of (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WFGWFZWWIKZNLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-3-24-11-21-9-16(24)14-8-17(26)22-19-18(14)12(2)23-25(19)10-13-6-4-5-7-15(13)20/h4-7,9,11,14H,3,8,10H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 369.86 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2-chlorophenyl)methyl]-4-(3-ethylimidazol-4-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136882321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).