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

C11H11N5 — CID 71104812

IUPAC5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine
SMILESCn1cc(N)cc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C11H11N5/c1-16-6-7(12)5-9(16)11-14-8-3-2-4-13-10(8)15-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyPHAYOMHHZBXSSG-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.55
Rot. Bonds1

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

5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine (PubChem CID 71104812) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine.

Molecular Properties

Compound Name5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine
PubChem CID71104812
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine
SMILESCn1cc(N)cc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C11H11N5/c1-16-6-7(12)5-9(16)11-14-8-3-2-4-13-10(8)15-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyPHAYOMHHZBXSSG-UHFFFAOYSA-N
XLogP1.55
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine?
The IUPAC name of 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine (CID 71104812) is 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine.
What is the SMILES notation for 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine?
The canonical SMILES for 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine is Cn1cc(N)cc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine?
The InChIKey is PHAYOMHHZBXSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-6-7(12)5-9(16)11-14-8-3-2-4-13-10(8)15-11/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine?
5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine has a molecular weight of 213.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazo[4,5-b]pyridin-2-yl)-1-methylpyrrol-3-amine is sourced from PubChem (CID 71104812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).