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

C19H20ClF2N5O — CID 127038947

IUPAC6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1cc(F)c(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)cc1F
InChIInChI=1S/C19H20ClF2N5O/c1-28-15-7-13(21)11(6-14(15)22)18-26-17-16(12(20)9-25-19(17)27-18)24-8-10-2-4-23-5-3-10/h6-7,9-10,23H,2-5,8H2,1H3,(H2,24,25,26,27)
InChIKeyVIOYOVMECMDXFG-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.98
Rot. Bonds5

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

6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 127038947) has the molecular formula C19H20ClF2N5O and a molecular weight of 407.85 g/mol. Its IUPAC name is 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID127038947
Molecular FormulaC19H20ClF2N5O
Molecular Weight407.85 g/mol
Exact Mass407.13
IUPAC Name6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCOc1cc(F)c(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)cc1F
InChIInChI=1S/C19H20ClF2N5O/c1-28-15-7-13(21)11(6-14(15)22)18-26-17-16(12(20)9-25-19(17)27-18)24-8-10-2-4-23-5-3-10/h6-7,9-10,23H,2-5,8H2,1H3,(H2,24,25,26,27)
InChIKeyVIOYOVMECMDXFG-UHFFFAOYSA-N
XLogP3.98
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 127038947) is 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is COc1cc(F)c(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)cc1F.
What is the InChIKey of 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is VIOYOVMECMDXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N5O/c1-28-15-7-13(21)11(6-14(15)22)18-26-17-16(12(20)9-25-19(17)27-18)24-8-10-2-4-23-5-3-10/h6-7,9-10,23H,2-5,8H2,1H3,(H2,24,25,26,27).
What are the key properties of 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 407.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,5-difluoro-4-methoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 127038947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).