[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine

C25H27N5O — CID 90368117

IUPAC[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)C1
InChIInChI=1S/C25H27N5O/c26-15-19-7-4-14-30(16-19)23-13-12-22-25(28-23)29-24(27-22)20-8-10-21(11-9-20)31-17-18-5-2-1-3-6-18/h1-3,5-6,8-13,19H,4,7,14-17,26H2,(H,27,28,29)
InChIKeySQPKZFSKZULHJF-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.38
Rot. Bonds6

About [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine

[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine (PubChem CID 90368117) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine
PubChem CID90368117
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)C1
InChIInChI=1S/C25H27N5O/c26-15-19-7-4-14-30(16-19)23-13-12-22-25(28-23)29-24(27-22)20-8-10-21(11-9-20)31-17-18-5-2-1-3-6-18/h1-3,5-6,8-13,19H,4,7,14-17,26H2,(H,27,28,29)
InChIKeySQPKZFSKZULHJF-UHFFFAOYSA-N
XLogP4.38
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine (CID 90368117) is [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine is NCC1CCCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)C1.
What is the InChIKey of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine?
The InChIKey is SQPKZFSKZULHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-15-19-7-4-14-30(16-19)23-13-12-22-25(28-23)29-24(27-22)20-8-10-21(11-9-20)31-17-18-5-2-1-3-6-18/h1-3,5-6,8-13,19H,4,7,14-17,26H2,(H,27,28,29).
What are the key properties of [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine?
[1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine has a molecular weight of 413.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 90368117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).