4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine

C11H9Br2N5 — CID 23661684

IUPAC4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCNc1nc2c(-c3cc(Br)c(Br)[nH]3)nccc2[nH]1
InChIInChI=1S/C11H9Br2N5/c1-14-11-17-6-2-3-15-8(9(6)18-11)7-4-5(12)10(13)16-7/h2-4,16H,1H3,(H2,14,17,18)
InChIKeyWBJXNPDPIGZKCD-UHFFFAOYSA-N
MW371.04 g/mol
LogP3.52
Rot. Bonds2

About 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine

4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 23661684) has the molecular formula C11H9Br2N5 and a molecular weight of 371.04 g/mol. Its IUPAC name is 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine
PubChem CID23661684
Molecular FormulaC11H9Br2N5
Molecular Weight371.04 g/mol
Exact Mass368.92
IUPAC Name4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCNc1nc2c(-c3cc(Br)c(Br)[nH]3)nccc2[nH]1
InChIInChI=1S/C11H9Br2N5/c1-14-11-17-6-2-3-15-8(9(6)18-11)7-4-5(12)10(13)16-7/h2-4,16H,1H3,(H2,14,17,18)
InChIKeyWBJXNPDPIGZKCD-UHFFFAOYSA-N
XLogP3.52
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.04
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine (CID 23661684) is 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine is CNc1nc2c(-c3cc(Br)c(Br)[nH]3)nccc2[nH]1.
What is the InChIKey of 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is WBJXNPDPIGZKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N5/c1-14-11-17-6-2-3-15-8(9(6)18-11)7-4-5(12)10(13)16-7/h2-4,16H,1H3,(H2,14,17,18).
What are the key properties of 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine?
4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 371.04 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromo-1H-pyrrol-2-yl)-N-methyl-1H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 23661684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).