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

C24H25N5O — CID 122441882

IUPAC1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine
SMILESNC1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C24H25N5O/c25-19-12-14-29(15-13-19)22-11-10-21-24(27-22)28-23(26-21)18-6-8-20(9-7-18)30-16-17-4-2-1-3-5-17/h1-11,19H,12-16,25H2,(H,26,27,28)
InChIKeyIGGMNMPNMALGHN-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.13
Rot. Bonds5

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

1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine (PubChem CID 122441882) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine
PubChem CID122441882
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine
SMILESNC1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C24H25N5O/c25-19-12-14-29(15-13-19)22-11-10-21-24(27-22)28-23(26-21)18-6-8-20(9-7-18)30-16-17-4-2-1-3-5-17/h1-11,19H,12-16,25H2,(H,26,27,28)
InChIKeyIGGMNMPNMALGHN-UHFFFAOYSA-N
XLogP4.13
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.13
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-4-amine?
The IUPAC name of 1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine (CID 122441882) is 1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine is NC1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.
What is the InChIKey of 1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine?
The InChIKey is IGGMNMPNMALGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c25-19-12-14-29(15-13-19)22-11-10-21-24(27-22)28-23(26-21)18-6-8-20(9-7-18)30-16-17-4-2-1-3-5-17/h1-11,19H,12-16,25H2,(H,26,27,28).
What are the key properties of 1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine?
1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 4.13, 5 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-4-amine is sourced from PubChem (CID 122441882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).