6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine

C19H21ClFN5O — CID 127040994

IUPAC6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(F)c(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)c1
InChIInChI=1S/C19H21ClFN5O/c1-27-12-2-3-15(21)13(8-12)18-25-17-16(14(20)10-24-19(17)26-18)23-9-11-4-6-22-7-5-11/h2-3,8,10-11,22H,4-7,9H2,1H3,(H2,23,24,25,26)
InChIKeyVAHCPZHCLNBIBJ-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.84
Rot. Bonds5

About 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127040994) has the molecular formula C19H21ClFN5O and a molecular weight of 389.86 g/mol. Its IUPAC name is 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127040994
Molecular FormulaC19H21ClFN5O
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC Name6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(F)c(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)c1
InChIInChI=1S/C19H21ClFN5O/c1-27-12-2-3-15(21)13(8-12)18-25-17-16(14(20)10-24-19(17)26-18)23-9-11-4-6-22-7-5-11/h2-3,8,10-11,22H,4-7,9H2,1H3,(H2,23,24,25,26)
InChIKeyVAHCPZHCLNBIBJ-UHFFFAOYSA-N
XLogP3.84
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
2-[[4-[[5-Chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethanolate
CID 70701995
6-Chloro-2-(2-Fluoro-4,5-Dimethoxyphenyl)-N-(Piperidin-4-Ylmethyl)-3h-Imidazo[4,5-B]pyridin-7-Amine
CID 92045136
6-(3-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538768
7-(3-chloropropyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538785
6-chloro-2-(4-chloro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine
CID 137650941
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
6-Chloro-N-methyl-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-3H-imidazo[4,5-b]pyridin-7-amine
CID 10023121
3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine
CID 10316980
N-(2-chloro-6-methylphenyl)-12-methoxy-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11233080

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 127040994) is 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc(F)c(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)c1.
What is the InChIKey of 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is VAHCPZHCLNBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O/c1-27-12-2-3-15(21)13(8-12)18-25-17-16(14(20)10-24-19(17)26-18)23-9-11-4-6-22-7-5-11/h2-3,8,10-11,22H,4-7,9H2,1H3,(H2,23,24,25,26).
What are the key properties of 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 389.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluoro-5-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127040994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).