[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine

C15H15N3 — CID 170449818

IUPAC[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
SMILESCc1c[nH]c2nccc(-c3ccc(CN)cc3)c12
InChIInChI=1S/C15H15N3/c1-10-9-18-15-14(10)13(6-7-17-15)12-4-2-11(8-16)3-5-12/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyLOALHSWWYOMMPS-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.00
Rot. Bonds2

About [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine

[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine (PubChem CID 170449818) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
PubChem CID170449818
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
SMILESCc1c[nH]c2nccc(-c3ccc(CN)cc3)c12
InChIInChI=1S/C15H15N3/c1-10-9-18-15-14(10)13(6-7-17-15)12-4-2-11(8-16)3-5-12/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyLOALHSWWYOMMPS-UHFFFAOYSA-N
XLogP3.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009
4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376080
3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67500514
4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]benzenethiol
CID 166959810
ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 145441189
5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
CID 164563738
[4-(3-methyl-4-phenyl-2-pyridinyl)phenyl]methanamine
CID 135146926
4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376081
4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 71120523
5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 87697100

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine?
The IUPAC name of [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine (CID 170449818) is [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine is Cc1c[nH]c2nccc(-c3ccc(CN)cc3)c12.
What is the InChIKey of [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine?
The InChIKey is LOALHSWWYOMMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-9-18-15-14(10)13(6-7-17-15)12-4-2-11(8-16)3-5-12/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine?
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine has a molecular weight of 237.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine is sourced from PubChem (CID 170449818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).