(E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C19H19F3N4O2 — CID 176734299

IUPAC(E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCn1cc2c(n1)CCN(C(=O)CNC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H19F3N4O2/c1-25-11-14-12-26(9-8-16(14)24-25)18(28)10-23-17(27)7-4-13-2-5-15(6-3-13)19(20,21)22/h2-7,11H,8-10,12H2,1H3,(H,23,27)/b7-4+
InChIKeyDOFOSNXENGZXIT-QPJJXVBHSA-N
MW392.38 g/mol
LogP2.15
Rot. Bonds4

About (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 176734299) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID176734299
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name(E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCn1cc2c(n1)CCN(C(=O)CNC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H19F3N4O2/c1-25-11-14-12-26(9-8-16(14)24-25)18(28)10-23-17(27)7-4-13-2-5-15(6-3-13)19(20,21)22/h2-7,11H,8-10,12H2,1H3,(H,23,27)/b7-4+
InChIKeyDOFOSNXENGZXIT-QPJJXVBHSA-N
XLogP2.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
(R)-2-((S)-1-ethyl-3-methyl-4-(4-(trifluoromethyl)phenethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 46880449
5-[1-[(3,4-Difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155534784
Ipazilide
CID 60650
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307927
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309042
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309752
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
N-[4-(Diethylamino)-2-methylphenyl]-2-(4,5,6,7-tetrahydro-2H-indazol-2-YL)acetamide
CID 16012182
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 176734299) is (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is Cn1cc2c(n1)CCN(C(=O)CNC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is DOFOSNXENGZXIT-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-25-11-14-12-26(9-8-16(14)24-25)18(28)10-23-17(27)7-4-13-2-5-15(6-3-13)19(20,21)22/h2-7,11H,8-10,12H2,1H3,(H,23,27)/b7-4+.
What are the key properties of (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 392.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 176734299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).