4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine

C22H16BrN5 — CID 45485508

IUPAC4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(-c3cc(Br)c(-c4ccc(-c5ccccc5)cc4)[nH]3)nccc2[nH]1
InChIInChI=1S/C22H16BrN5/c23-16-12-18(20-21-17(10-11-25-20)27-22(24)28-21)26-19(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,26H,(H3,24,27,28)
InChIKeyKKWUIAKNMKXRTR-UHFFFAOYSA-N
MW430.31 g/mol
LogP5.63
Rot. Bonds3

About 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine

4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 45485508) has the molecular formula C22H16BrN5 and a molecular weight of 430.31 g/mol. Its IUPAC name is 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine
PubChem CID45485508
Molecular FormulaC22H16BrN5
Molecular Weight430.31 g/mol
Exact Mass429.06
IUPAC Name4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(-c3cc(Br)c(-c4ccc(-c5ccccc5)cc4)[nH]3)nccc2[nH]1
InChIInChI=1S/C22H16BrN5/c23-16-12-18(20-21-17(10-11-25-20)27-22(24)28-21)26-19(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,26H,(H3,24,27,28)
InChIKeyKKWUIAKNMKXRTR-UHFFFAOYSA-N
XLogP5.63
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine (CID 45485508) is 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine is Nc1nc2c(-c3cc(Br)c(-c4ccc(-c5ccccc5)cc4)[nH]3)nccc2[nH]1.
What is the InChIKey of 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is KKWUIAKNMKXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN5/c23-16-12-18(20-21-17(10-11-25-20)27-22(24)28-21)26-19(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,26H,(H3,24,27,28).
What are the key properties of 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine?
4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 430.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 45485508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).