(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone

C15H13N5O — CID 146039271

IUPAC(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
SMILESCc1cc2c(cn1)CN(C(=O)c1cccn3cnnc13)C2
InChIInChI=1S/C15H13N5O/c1-10-5-11-7-20(8-12(11)6-16-10)15(21)13-3-2-4-19-9-17-18-14(13)19/h2-6,9H,7-8H2,1H3
InChIKeyWDSPWPYSPUERLY-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.59
Rot. Bonds1

About (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone

(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone (PubChem CID 146039271) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone.

Molecular Properties

Compound Name(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
PubChem CID146039271
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
SMILESCc1cc2c(cn1)CN(C(=O)c1cccn3cnnc13)C2
InChIInChI=1S/C15H13N5O/c1-10-5-11-7-20(8-12(11)6-16-10)15(21)13-3-2-4-19-9-17-18-14(13)19/h2-6,9H,7-8H2,1H3
InChIKeyWDSPWPYSPUERLY-UHFFFAOYSA-N
XLogP1.59
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one
CID 146040132
(2-ethoxy-3-pyridinyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 146043149
(4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 154819404
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
CID 118785701
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936
2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 155502159
[(3aS,5R,6R,7aR)-5-[(2,6-dimethyl-3-pyridinyl)oxy]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 172658201
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 165419233
(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
CID 125167277
[(3aR,5R,6R,7aS)-5-hydroxy-6-(2-methoxyphenoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 172658719
(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 125159084
formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one
CID 155971936

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone?
The IUPAC name of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone (CID 146039271) is (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone.
What is the SMILES notation for (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone?
The canonical SMILES for (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone is Cc1cc2c(cn1)CN(C(=O)c1cccn3cnnc13)C2.
What is the InChIKey of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone?
The InChIKey is WDSPWPYSPUERLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-5-11-7-20(8-12(11)6-16-10)15(21)13-3-2-4-19-9-17-18-14(13)19/h2-6,9H,7-8H2,1H3.
What are the key properties of (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone?
(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone has a molecular weight of 279.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone is sourced from PubChem (CID 146039271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).