[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C16H18N6O — CID 95977725

IUPAC[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCc1nnc2ccc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cn12
InChIInChI=1S/C16H18N6O/c1-11-18-19-15-6-5-12(10-22(11)15)16(23)21-7-3-4-14(21)13-8-17-20(2)9-13/h5-6,8-10,14H,3-4,7H2,1-2H3/t14-/m1/s1
InChIKeyGALLHGSWSMDVKE-CQSZACIVSA-N
MW310.36 g/mol
LogP1.75
Rot. Bonds2

About [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 95977725) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID95977725
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCc1nnc2ccc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cn12
InChIInChI=1S/C16H18N6O/c1-11-18-19-15-6-5-12(10-22(11)15)16(23)21-7-3-4-14(21)13-8-17-20(2)9-13/h5-6,8-10,14H,3-4,7H2,1-2H3/t14-/m1/s1
InChIKeyGALLHGSWSMDVKE-CQSZACIVSA-N
XLogP1.75
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 136557575
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308670
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315442
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315443
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 95977725) is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is Cc1nnc2ccc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cn12.
What is the InChIKey of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is GALLHGSWSMDVKE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-18-19-15-6-5-12(10-22(11)15)16(23)21-7-3-4-14(21)13-8-17-20(2)9-13/h5-6,8-10,14H,3-4,7H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 310.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 95977725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).