7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride

C19H22Cl2N4O — CID 168844092

IUPAC7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCc1nc2nccc(-c3cc(Cl)cc(C)c3O[C@H]3CCCNC3)c2[nH]1.Cl
InChIInChI=1S/C19H21ClN4O.ClH/c1-11-8-13(20)9-16(18(11)25-14-4-3-6-21-10-14)15-5-7-22-19-17(15)23-12(2)24-19;/h5,7-9,14,21H,3-4,6,10H2,1-2H3,(H,22,23,24);1H/t14-;/m0./s1
InChIKeyUKXKRKDINNJJEV-UQKRIMTDSA-N
MW393.32 g/mol
LogP4.45
Rot. Bonds3

About 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride

7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride (PubChem CID 168844092) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride
PubChem CID168844092
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCc1nc2nccc(-c3cc(Cl)cc(C)c3O[C@H]3CCCNC3)c2[nH]1.Cl
InChIInChI=1S/C19H21ClN4O.ClH/c1-11-8-13(20)9-16(18(11)25-14-4-3-6-21-10-14)15-5-7-22-19-17(15)23-12(2)24-19;/h5,7-9,14,21H,3-4,6,10H2,1-2H3,(H,22,23,24);1H/t14-;/m0./s1
InChIKeyUKXKRKDINNJJEV-UQKRIMTDSA-N
XLogP4.45
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 170034840
3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one
CID 168952662
3-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 138609907
3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile
CID 138610504
(3R)-1-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methoxypyrrolidine-2,5-dione
CID 138609808
6-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 138610015
4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 174210714
[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609790
[7-(5-fluoro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methanol
CID 138609793
2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594625
5-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)piperidin-2-one
CID 138610644
2-piperidin-3-yloxy-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71637392

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride (CID 168844092) is 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride is Cc1nc2nccc(-c3cc(Cl)cc(C)c3O[C@H]3CCCNC3)c2[nH]1.Cl.
What is the InChIKey of 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is UKXKRKDINNJJEV-UQKRIMTDSA-N. The full InChI is InChI=1S/C19H21ClN4O.ClH/c1-11-8-13(20)9-16(18(11)25-14-4-3-6-21-10-14)15-5-7-22-19-17(15)23-12(2)24-19;/h5,7-9,14,21H,3-4,6,10H2,1-2H3,(H,22,23,24);1H/t14-;/m0./s1.
What are the key properties of 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride?
7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride has a molecular weight of 393.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 168844092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).