(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

C19H20ClN5O2 — CID 92551394

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H](C)n2cc(Cl)cn2)cc1
InChIInChI=1S/C19H20ClN5O2/c1-12(25-10-14(20)9-23-25)19(26)24-8-7-16-17(22-11-21-16)18(24)13-3-5-15(27-2)6-4-13/h3-6,9-12,18H,7-8H2,1-2H3,(H,21,22)/t12-,18+/m0/s1
InChIKeyKROJCANFOYWRNI-KPZWWZAWSA-N
MW385.86 g/mol
LogP3.00
Rot. Bonds4

About (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 92551394) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
PubChem CID92551394
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H](C)n2cc(Cl)cn2)cc1
InChIInChI=1S/C19H20ClN5O2/c1-12(25-10-14(20)9-23-25)19(26)24-8-7-16-17(22-11-21-16)18(24)13-3-5-15(27-2)6-4-13/h3-6,9-12,18H,7-8H2,1-2H3,(H,21,22)/t12-,18+/m0/s1
InChIKeyKROJCANFOYWRNI-KPZWWZAWSA-N
XLogP3.00
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-fluorophenoxy)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551386
(2R)-2-(2-fluorophenoxy)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551387
4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
methyl 2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate
CID 29132507
methyl 2-[[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648805
[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 92614421
2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92607565
dimethyl (2S)-2-[[(4S)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 29132871
dimethyl 2-[[4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanedioate
CID 45371141
dimethyl (2S)-2-[[4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 42651678
methyl (2R)-2-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 51837584
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46978828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (CID 92551394) is (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H](C)n2cc(Cl)cn2)cc1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The InChIKey is KROJCANFOYWRNI-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-12(25-10-14(20)9-23-25)19(26)24-8-7-16-17(22-11-21-16)18(24)13-3-5-15(27-2)6-4-13/h3-6,9-12,18H,7-8H2,1-2H3,(H,21,22)/t12-,18+/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 385.86 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 92551394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).