4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine

C11H9Br2N5 — CID 45485486

IUPAC4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCc1[nH]c(-c2nccc3[nH]c(N)nc23)c(Br)c1Br
InChIInChI=1S/C11H9Br2N5/c1-4-6(12)7(13)9(16-4)10-8-5(2-3-15-10)17-11(14)18-8/h2-3,16H,1H3,(H3,14,17,18)
InChIKeyNVWSGXONYMUGNM-UHFFFAOYSA-N
MW371.04 g/mol
LogP3.37
Rot. Bonds1

About 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine

4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 45485486) has the molecular formula C11H9Br2N5 and a molecular weight of 371.04 g/mol. Its IUPAC name is 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
PubChem CID45485486
Molecular FormulaC11H9Br2N5
Molecular Weight371.04 g/mol
Exact Mass368.92
IUPAC Name4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCc1[nH]c(-c2nccc3[nH]c(N)nc23)c(Br)c1Br
InChIInChI=1S/C11H9Br2N5/c1-4-6(12)7(13)9(16-4)10-8-5(2-3-15-10)17-11(14)18-8/h2-3,16H,1H3,(H3,14,17,18)
InChIKeyNVWSGXONYMUGNM-UHFFFAOYSA-N
XLogP3.37
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.04
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine (CID 45485486) is 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine is Cc1[nH]c(-c2nccc3[nH]c(N)nc23)c(Br)c1Br.
What is the InChIKey of 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is NVWSGXONYMUGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N5/c1-4-6(12)7(13)9(16-4)10-8-5(2-3-15-10)17-11(14)18-8/h2-3,16H,1H3,(H3,14,17,18).
What are the key properties of 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 371.04 g/mol, XLogP of 3.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 45485486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).