2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine

C25H27N5O — CID 122441864

IUPAC2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESc1ccc(COc2ccc(-c3nc4nc(NCC5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C25H27N5O/c1-2-4-19(5-3-1)17-31-21-8-6-20(7-9-21)24-28-22-10-11-23(29-25(22)30-24)27-16-18-12-14-26-15-13-18/h1-11,18,26H,12-17H2,(H2,27,28,29,30)
InChIKeyNSNURMPVCVKAFQ-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.62
Rot. Bonds7

About 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 122441864) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID122441864
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESc1ccc(COc2ccc(-c3nc4nc(NCC5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C25H27N5O/c1-2-4-19(5-3-1)17-31-21-8-6-20(7-9-21)24-28-22-10-11-23(29-25(22)30-24)27-16-18-12-14-26-15-13-18/h1-11,18,26H,12-17H2,(H2,27,28,29,30)
InChIKeyNSNURMPVCVKAFQ-UHFFFAOYSA-N
XLogP4.62
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 122441864) is 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine is c1ccc(COc2ccc(-c3nc4nc(NCC5CCNCC5)ccc4[nH]3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is NSNURMPVCVKAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-2-4-19(5-3-1)17-31-21-8-6-20(7-9-21)24-28-22-10-11-23(29-25(22)30-24)27-16-18-12-14-26-15-13-18/h1-11,18,26H,12-17H2,(H2,27,28,29,30).
What are the key properties of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 413.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 122441864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).