pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone

C16H15N5O — CID 53069710

IUPACpyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2nnc3cccnc32)c1)N1CCCC1
InChIInChI=1S/C16H15N5O/c22-16(20-9-1-2-10-20)12-5-3-6-13(11-12)21-15-14(18-19-21)7-4-8-17-15/h3-8,11H,1-2,9-10H2
InChIKeyAGOUMOVEOQMVLA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.05
Rot. Bonds2

About pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone

pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone (PubChem CID 53069710) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
PubChem CID53069710
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Namepyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2nnc3cccnc32)c1)N1CCCC1
InChIInChI=1S/C16H15N5O/c22-16(20-9-1-2-10-20)12-5-3-6-13(11-12)21-15-14(18-19-21)7-4-8-17-15/h3-8,11H,1-2,9-10H2
InChIKeyAGOUMOVEOQMVLA-UHFFFAOYSA-N
XLogP2.05
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069742
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 53006414
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 46277244
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone
CID 46277257
(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 71709137
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 46277321

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone (CID 53069710) is pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone is O=C(c1cccc(-n2nnc3cccnc32)c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
The InChIKey is AGOUMOVEOQMVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(20-9-1-2-10-20)12-5-3-6-13(11-12)21-15-14(18-19-21)7-4-8-17-15/h3-8,11H,1-2,9-10H2.
What are the key properties of pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone?
pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone has a molecular weight of 293.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone is sourced from PubChem (CID 53069710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).