(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H17ClN6O — CID 176863140

IUPAC(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nn(Cl)cc1C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2ccccc2n1
InChIInChI=1S/C20H17ClN6O/c1-12-14(10-27(21)25-12)20(28)26-9-8-16-18(23-11-22-16)19(26)17-7-6-13-4-2-3-5-15(13)24-17/h2-7,10-11,19H,8-9H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyRPYOIQGIWUCPOB-LJQANCHMSA-N
MW392.85 g/mol
LogP3.25
Rot. Bonds2

About (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 176863140) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID176863140
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nn(Cl)cc1C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2ccccc2n1
InChIInChI=1S/C20H17ClN6O/c1-12-14(10-27(21)25-12)20(28)26-9-8-16-18(23-11-22-16)19(26)17-7-6-13-4-2-3-5-15(13)24-17/h2-7,10-11,19H,8-9H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyRPYOIQGIWUCPOB-LJQANCHMSA-N
XLogP3.25
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166620
[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166458
[4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166479
[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863190
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166843
(E)-3-amino-4,4-difluoro-2-(methyliminomethyl)-1-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]but-2-en-1-one;molecular hydrogen
CID 169166684
[4-(difluoromethyl)-2-pyridin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863164
[2-(3,3-difluorocyclobutyl)-4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863156
[(4S)-4-cinnolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169166643
(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170193642
[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 170333082
(2-cyclopropylquinolin-4-yl)-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614361

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 176863140) is (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1nn(Cl)cc1C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2ccccc2n1.
What is the InChIKey of (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is RPYOIQGIWUCPOB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-12-14(10-27(21)25-12)20(28)26-9-8-16-18(23-11-22-16)19(26)17-7-6-13-4-2-3-5-15(13)24-17/h2-7,10-11,19H,8-9H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 392.85 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 176863140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).