N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine

C20H17N3 — CID 144764894

IUPACN-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1ccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H17N3/c1-14-7-9-16(10-8-14)22-20-17-13-19(15-5-3-2-4-6-15)23-18(17)11-12-21-20/h2-13,23H,1H3,(H,21,22)
InChIKeyIPWJOJBKRBBZDT-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.28
Rot. Bonds3

About N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine

N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 144764894) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID144764894
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC NameN-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1ccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H17N3/c1-14-7-9-16(10-8-14)22-20-17-13-19(15-5-3-2-4-6-15)23-18(17)11-12-21-20/h2-13,23H,1H3,(H,21,22)
InChIKeyIPWJOJBKRBBZDT-UHFFFAOYSA-N
XLogP5.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 144764894) is N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine is Cc1ccc(Nc2nccc3[nH]c(-c4ccccc4)cc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is IPWJOJBKRBBZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-7-9-16(10-8-14)22-20-17-13-19(15-5-3-2-4-6-15)23-18(17)11-12-21-20/h2-13,23H,1H3,(H,21,22).
What are the key properties of N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 144764894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).