3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile

C18H14N6O — CID 139030492

IUPAC3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2ccn(Cc3ccc[nH]c3=O)c2c1
InChIInChI=1S/C18H14N6O/c19-9-14-16(22-23-17(14)20)12-4-3-11-5-7-24(15(11)8-12)10-13-2-1-6-21-18(13)25/h1-8H,10H2,(H,21,25)(H3,20,22,23)
InChIKeyRTLAMMYDMUSFRK-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.22
Rot. Bonds3

About 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile

3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile (PubChem CID 139030492) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile
PubChem CID139030492
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2ccn(Cc3ccc[nH]c3=O)c2c1
InChIInChI=1S/C18H14N6O/c19-9-14-16(22-23-17(14)20)12-4-3-11-5-7-24(15(11)8-12)10-13-2-1-6-21-18(13)25/h1-8H,10H2,(H,21,25)(H3,20,22,23)
InChIKeyRTLAMMYDMUSFRK-UHFFFAOYSA-N
XLogP2.22
TPSA116.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile (CID 139030492) is 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1-c1ccc2ccn(Cc3ccc[nH]c3=O)c2c1.
What is the InChIKey of 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile?
The InChIKey is RTLAMMYDMUSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-9-14-16(22-23-17(14)20)12-4-3-11-5-7-24(15(11)8-12)10-13-2-1-6-21-18(13)25/h1-8H,10H2,(H,21,25)(H3,20,22,23).
What are the key properties of 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile has a molecular weight of 330.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1-[(2-oxo-1H-pyridin-3-yl)methyl]indol-6-yl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 139030492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).