2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

C14H17N5O — CID 154570049

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCc1cc2c(cn1)CN(C(=O)Cn1nc(C)cc1N)C2
InChIInChI=1S/C14H17N5O/c1-9-3-11-6-18(7-12(11)5-16-9)14(20)8-19-13(15)4-10(2)17-19/h3-5H,6-8,15H2,1-2H3
InChIKeyZNIONVOEGRLNFU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.02
Rot. Bonds2

About 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (PubChem CID 154570049) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
PubChem CID154570049
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCc1cc2c(cn1)CN(C(=O)Cn1nc(C)cc1N)C2
InChIInChI=1S/C14H17N5O/c1-9-3-11-6-18(7-12(11)5-16-9)14(20)8-19-13(15)4-10(2)17-19/h3-5H,6-8,15H2,1-2H3
InChIKeyZNIONVOEGRLNFU-UHFFFAOYSA-N
XLogP1.02
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 155502159
2-(5-amino-3-methylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 86284234
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
CID 75485346
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone
CID 91769996
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 86285777
4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 86286910
1-[1-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 77091056
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]ethanone
CID 77097499
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]ethanone
CID 124754602
2-(5-amino-3-methylpyrazol-1-yl)-1-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)ethanone
CID 154565150
1,6-dimethyl-3-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyridin-2-one
CID 146040132

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (CID 154570049) is 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is Cc1cc2c(cn1)CN(C(=O)Cn1nc(C)cc1N)C2.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The InChIKey is ZNIONVOEGRLNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-3-11-6-18(7-12(11)5-16-9)14(20)8-19-13(15)4-10(2)17-19/h3-5H,6-8,15H2,1-2H3.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone has a molecular weight of 271.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 154570049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).