(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C15H13N3O2 — CID 102626921

IUPAC(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3ccncc23)ccc1N
InChIInChI=1S/C15H13N3O2/c1-20-14-6-9(2-3-12(14)16)15(19)11-8-18-13-4-5-17-7-10(11)13/h2-8,18H,16H2,1H3
InChIKeyNSYRQOISLHTLOE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.38
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626921) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626921
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3ccncc23)ccc1N
InChIInChI=1S/C15H13N3O2/c1-20-14-6-9(2-3-12(14)16)15(19)11-8-18-13-4-5-17-7-10(11)13/h2-8,18H,16H2,1H3
InChIKeyNSYRQOISLHTLOE-UHFFFAOYSA-N
XLogP2.38
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone with MolForge

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Related Compounds

(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626761
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 104784944
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
(3-amino-4-methoxyphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512784
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626646
(6-fluoro-1H-indol-3-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919876
(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 62919036

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626921) is (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is COc1cc(C(=O)c2c[nH]c3ccncc23)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is NSYRQOISLHTLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-6-9(2-3-12(14)16)15(19)11-8-18-13-4-5-17-7-10(11)13/h2-8,18H,16H2,1H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 267.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).