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

C18H14N6 — CID 139030489

IUPAC3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2ccn(Cc3cccnc3)c2c1
InChIInChI=1S/C18H14N6/c19-9-15-17(22-23-18(15)20)14-4-3-13-5-7-24(16(13)8-14)11-12-2-1-6-21-10-12/h1-8,10H,11H2,(H3,20,22,23)
InChIKeyLBFCIYHKVAYEJG-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.93
Rot. Bonds3

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

3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile (PubChem CID 139030489) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile
PubChem CID139030489
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2ccn(Cc3cccnc3)c2c1
InChIInChI=1S/C18H14N6/c19-9-15-17(22-23-18(15)20)14-4-3-13-5-7-24(16(13)8-14)11-12-2-1-6-21-10-12/h1-8,10H,11H2,(H3,20,22,23)
InChIKeyLBFCIYHKVAYEJG-UHFFFAOYSA-N
XLogP2.93
TPSA96.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile (CID 139030489) is 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1-c1ccc2ccn(Cc3cccnc3)c2c1.
What is the InChIKey of 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
The InChIKey is LBFCIYHKVAYEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c19-9-15-17(22-23-18(15)20)14-4-3-13-5-7-24(16(13)8-14)11-12-2-1-6-21-10-12/h1-8,10H,11H2,(H3,20,22,23).
What are the key properties of 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile has a molecular weight of 314.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 139030489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).