[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C19H17N5O — CID 11370950

IUPAC[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(N)c4)cc23)n(C)n1
InChIInChI=1S/C19H17N5O/c1-11-6-17(24(2)23-11)18(25)16-10-22-19-15(16)8-13(9-21-19)12-4-3-5-14(20)7-12/h3-10H,20H2,1-2H3,(H,21,22)
InChIKeyYEZIYPRIAKDYKQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.09
Rot. Bonds3

About [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 11370950) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID11370950
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(N)c4)cc23)n(C)n1
InChIInChI=1S/C19H17N5O/c1-11-6-17(24(2)23-11)18(25)16-10-22-19-15(16)8-13(9-21-19)12-4-3-5-14(20)7-12/h3-10H,20H2,1-2H3,(H,21,22)
InChIKeyYEZIYPRIAKDYKQ-UHFFFAOYSA-N
XLogP3.09
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 71219030
(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087209
methanesulfinate;methyl (E)-3-[3-[3-(3-aminobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enoate
CID 158158466
3-[3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 118709553
N-[3-[3-(5-fluoro-2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11339236
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364
(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11461682
5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid
CID 174494302
N-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11189486
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
(1-but-2-ynylindol-4-yl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086575
3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 58086089

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 11370950) is [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(N)c4)cc23)n(C)n1.
What is the InChIKey of [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is YEZIYPRIAKDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11-6-17(24(2)23-11)18(25)16-10-22-19-15(16)8-13(9-21-19)12-4-3-5-14(20)7-12/h3-10H,20H2,1-2H3,(H,21,22).
What are the key properties of [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 331.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 11370950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).