(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride

C21H17Cl2F2N5O2 — CID 118496910

IUPAC(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1nc(Cl)cc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H16ClF2N5O2.ClH/c22-16-9-14-18(26-11-25-14)19(28-16)20(30)29-8-7-21(23,24)15(10-29)31-17-6-5-12-3-1-2-4-13(12)27-17;/h1-6,9,11,15H,7-8,10H2,(H,25,26);1H/t15-;/m0./s1
InChIKeyOQYJEHPRSRSACE-RSAXXLAASA-N
MW480.30 g/mol
LogP4.51
Rot. Bonds3

About (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride

(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride (PubChem CID 118496910) has the molecular formula C21H17Cl2F2N5O2 and a molecular weight of 480.30 g/mol. Its IUPAC name is (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride
PubChem CID118496910
Molecular FormulaC21H17Cl2F2N5O2
Molecular Weight480.30 g/mol
Exact Mass479.07
IUPAC Name(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1nc(Cl)cc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H16ClF2N5O2.ClH/c22-16-9-14-18(26-11-25-14)19(28-16)20(30)29-8-7-21(23,24)15(10-29)31-17-6-5-12-3-1-2-4-13(12)27-17;/h1-6,9,11,15H,7-8,10H2,(H,25,26);1H/t15-;/m0./s1
InChIKeyOQYJEHPRSRSACE-RSAXXLAASA-N
XLogP4.51
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1H-benzimidazol-4-yl-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride
CID 118496843
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-6-yl)methanone
CID 123289843
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(3H-imidazo[4,5-c]pyridin-6-yl)methanone;2,2,2-trifluoroacetic acid
CID 118496920
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrazolo[4,5-c]pyridin-4-yl)methanone
CID 90298332
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indol-3-yl)methanone
CID 123303137
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 123984379
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone
CID 90284734
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 134139865
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 134134612
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118496909
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 90298436
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-b]pyridazin-2-ylmethanone
CID 90286456

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride (CID 118496910) is (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride is Cl.O=C(c1nc(Cl)cc2[nH]cnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride?
The InChIKey is OQYJEHPRSRSACE-RSAXXLAASA-N. The full InChI is InChI=1S/C21H16ClF2N5O2.ClH/c22-16-9-14-18(26-11-25-14)19(28-16)20(30)29-8-7-21(23,24)15(10-29)31-17-6-5-12-3-1-2-4-13(12)27-17;/h1-6,9,11,15H,7-8,10H2,(H,25,26);1H/t15-;/m0./s1.
What are the key properties of (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride?
(6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride has a molecular weight of 480.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-imidazo[4,5-c]pyridin-4-yl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 118496910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).