1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C20H25F3N4O — CID 145091732

IUPAC1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(NC3(C)C=CC=C(C(F)(F)F)C3)nn2CC2CC2)C1
InChIInChI=1S/C20H25F3N4O/c1-13(28)26-9-7-17-16(12-26)18(25-27(17)11-14-5-6-14)24-19(2)8-3-4-15(10-19)20(21,22)23/h3-4,8,14H,5-7,9-12H2,1-2H3,(H,24,25)
InChIKeyGJHPNLVABNQNJI-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.82
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 145091732) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID145091732
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(NC3(C)C=CC=C(C(F)(F)F)C3)nn2CC2CC2)C1
InChIInChI=1S/C20H25F3N4O/c1-13(28)26-9-7-17-16(12-26)18(25-27(17)11-14-5-6-14)24-19(2)8-3-4-15(10-19)20(21,22)23/h3-4,8,14H,5-7,9-12H2,1-2H3,(H,24,25)
InChIKeyGJHPNLVABNQNJI-UHFFFAOYSA-N
XLogP3.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 145091732) is 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(NC3(C)C=CC=C(C(F)(F)F)C3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is GJHPNLVABNQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-13(28)26-9-7-17-16(12-26)18(25-27(17)11-14-5-6-14)24-19(2)8-3-4-15(10-19)20(21,22)23/h3-4,8,14H,5-7,9-12H2,1-2H3,(H,24,25).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 394.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-[[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 145091732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).