1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine

C21H19N3 — CID 15418454

IUPAC1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine
SMILESCc1ccc(-c2cc(Nc3ccccc3)c3c(ccn3C)n2)cc1
InChIInChI=1S/C21H19N3/c1-15-8-10-16(11-9-15)19-14-20(22-17-6-4-3-5-7-17)21-18(23-19)12-13-24(21)2/h3-14H,1-2H3,(H,22,23)
InChIKeyFKELPRIGFDZTQP-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.29
Rot. Bonds3

About 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine

1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine (PubChem CID 15418454) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine
PubChem CID15418454
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine
SMILESCc1ccc(-c2cc(Nc3ccccc3)c3c(ccn3C)n2)cc1
InChIInChI=1S/C21H19N3/c1-15-8-10-16(11-9-15)19-14-20(22-17-6-4-3-5-7-17)21-18(23-19)12-13-24(21)2/h3-14H,1-2H3,(H,22,23)
InChIKeyFKELPRIGFDZTQP-UHFFFAOYSA-N
XLogP5.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10981160
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(6-methyl-2-phenylquinolin-4-yl)hydrazine
CID 62252637
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
4-[2,6-dimethyl-4-(3-methyl-4-pyridinyl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 70937489
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
4-anilino-2-phenylquinolin-8-ol
CID 91486521
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine (CID 15418454) is 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine is Cc1ccc(-c2cc(Nc3ccccc3)c3c(ccn3C)n2)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine?
The InChIKey is FKELPRIGFDZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-15-8-10-16(11-9-15)19-14-20(22-17-6-4-3-5-7-17)21-18(23-19)12-13-24(21)2/h3-14H,1-2H3,(H,22,23).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine?
1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 313.40 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-phenylpyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 15418454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).