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

C19H23F3N4O — CID 162575747

IUPAC1-[1-(cyclopropylmethyl)-3-[[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(NC3C=CC=C(C(F)(F)F)C3)nn2CC2CC2)C1
InChIInChI=1S/C19H23F3N4O/c1-12(27)25-8-7-17-16(11-25)18(24-26(17)10-13-5-6-13)23-15-4-2-3-14(9-15)19(20,21)22/h2-4,13,15H,5-11H2,1H3,(H,23,24)
InChIKeySYHBKMAQRFSLHC-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.43
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-3-[[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-[[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 162575747) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[[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-[[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID162575747
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name1-[1-(cyclopropylmethyl)-3-[[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(NC3C=CC=C(C(F)(F)F)C3)nn2CC2CC2)C1
InChIInChI=1S/C19H23F3N4O/c1-12(27)25-8-7-17-16(11-25)18(24-26(17)10-13-5-6-13)23-15-4-2-3-14(9-15)19(20,21)22/h2-4,13,15H,5-11H2,1H3,(H,23,24)
InChIKeySYHBKMAQRFSLHC-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[[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-[[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 162575747) is 1-[1-(cyclopropylmethyl)-3-[[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-[[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-[[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(NC3C=CC=C(C(F)(F)F)C3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is SYHBKMAQRFSLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-12(27)25-8-7-17-16(11-25)18(24-26(17)10-13-5-6-13)23-15-4-2-3-14(9-15)19(20,21)22/h2-4,13,15H,5-11H2,1H3,(H,23,24).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-[[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-[[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 380.41 g/mol, XLogP of 3.43, 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-[[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 162575747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).