2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine

C15H17N5 — CID 114917465

IUPAC2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C(N)CCc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5/c16-11(7-6-10-4-2-1-3-5-10)14-18-12-8-9-13(17)19-15(12)20-14/h1-5,8-9,11H,6-7,16H2,(H3,17,18,19,20)
InChIKeyWKVKRFFQMZIRSU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.17
Rot. Bonds4

About 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 114917465) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID114917465
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C(N)CCc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5/c16-11(7-6-10-4-2-1-3-5-10)14-18-12-8-9-13(17)19-15(12)20-14/h1-5,8-9,11H,6-7,16H2,(H3,17,18,19,20)
InChIKeyWKVKRFFQMZIRSU-UHFFFAOYSA-N
XLogP2.17
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 114917465) is 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(C(N)CCc3ccccc3)nc2n1.
What is the InChIKey of 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is WKVKRFFQMZIRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-11(7-6-10-4-2-1-3-5-10)14-18-12-8-9-13(17)19-15(12)20-14/h1-5,8-9,11H,6-7,16H2,(H3,17,18,19,20).
What are the key properties of 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 267.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 114917465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).