1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile

C17H11N5O — CID 154797984

IUPAC1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile
SMILESN#Cc1nn(CC(=O)c2c[nH]c3ncccc23)c2ccccc12
InChIInChI=1S/C17H11N5O/c18-8-14-12-4-1-2-6-15(12)22(21-14)10-16(23)13-9-20-17-11(13)5-3-7-19-17/h1-7,9H,10H2,(H,19,20)
InChIKeySCMXVYZYINRNGD-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.67
Rot. Bonds3

About 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile

1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile (PubChem CID 154797984) has the molecular formula C17H11N5O and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile
PubChem CID154797984
Molecular FormulaC17H11N5O
Molecular Weight301.31 g/mol
Exact Mass301.10
IUPAC Name1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile
SMILESN#Cc1nn(CC(=O)c2c[nH]c3ncccc23)c2ccccc12
InChIInChI=1S/C17H11N5O/c18-8-14-12-4-1-2-6-15(12)22(21-14)10-16(23)13-9-20-17-11(13)5-3-7-19-17/h1-7,9H,10H2,(H,19,20)
InChIKeySCMXVYZYINRNGD-UHFFFAOYSA-N
XLogP2.67
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-3-carbonitrile
CID 99782830
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one
CID 58217085
2-(1,4-dithia-8-azaspiro[4.5]decan-8-yl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 90481624
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
2-(4-bromophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 43339354
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile?
The IUPAC name of 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile (CID 154797984) is 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile.
What is the SMILES notation for 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile?
The canonical SMILES for 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile is N#Cc1nn(CC(=O)c2c[nH]c3ncccc23)c2ccccc12.
What is the InChIKey of 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile?
The InChIKey is SCMXVYZYINRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O/c18-8-14-12-4-1-2-6-15(12)22(21-14)10-16(23)13-9-20-17-11(13)5-3-7-19-17/h1-7,9H,10H2,(H,19,20).
What are the key properties of 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile?
1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]indazole-3-carbonitrile is sourced from PubChem (CID 154797984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).