1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C20H24N6O — CID 121373259

IUPAC1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4c(C)cnn4C)cc3)nn2C)C1
InChIInChI=1S/C20H24N6O/c1-13-11-21-25(4)19(13)15-5-7-16(8-6-15)22-20-17-12-26(14(2)27)10-9-18(17)24(3)23-20/h5-8,11H,9-10,12H2,1-4H3,(H,22,23)
InChIKeyNCSMCDWOUURYPS-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.78
Rot. Bonds3

About 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373259) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373259
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4c(C)cnn4C)cc3)nn2C)C1
InChIInChI=1S/C20H24N6O/c1-13-11-21-25(4)19(13)15-5-7-16(8-6-15)22-20-17-12-26(14(2)27)10-9-18(17)24(3)23-20/h5-8,11H,9-10,12H2,1-4H3,(H,22,23)
InChIKeyNCSMCDWOUURYPS-UHFFFAOYSA-N
XLogP2.78
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373259) is 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4c(C)cnn4C)cc3)nn2C)C1.
What is the InChIKey of 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is NCSMCDWOUURYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-11-21-25(4)19(13)15-5-7-16(8-6-15)22-20-17-12-26(14(2)27)10-9-18(17)24(3)23-20/h5-8,11H,9-10,12H2,1-4H3,(H,22,23).
What are the key properties of 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).