N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H21F4N5O2 — CID 166657661

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1c2c(nn1CCCNC=O)CCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C2
InChIInChI=1S/C19H21F4N5O2/c1-12-14-10-27(8-5-17(14)26-28(12)7-2-6-24-11-29)18(30)25-13-3-4-16(20)15(9-13)19(21,22)23/h3-4,9,11H,2,5-8,10H2,1H3,(H,24,29)(H,25,30)
InChIKeyTZIKAXKUMOSGDK-UHFFFAOYSA-N
MW427.40 g/mol
LogP3.08
Rot. Bonds6

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 166657661) has the molecular formula C19H21F4N5O2 and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID166657661
Molecular FormulaC19H21F4N5O2
Molecular Weight427.40 g/mol
Exact Mass427.16
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1c2c(nn1CCCNC=O)CCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C2
InChIInChI=1S/C19H21F4N5O2/c1-12-14-10-27(8-5-17(14)26-28(12)7-2-6-24-11-29)18(30)25-13-3-4-16(20)15(9-13)19(21,22)23/h3-4,9,11H,2,5-8,10H2,1H3,(H,24,29)(H,25,30)
InChIKeyTZIKAXKUMOSGDK-UHFFFAOYSA-N
XLogP3.08
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(11R)-11-[(2,2-difluoroethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145435152
(11R)-11-[(2,2-difluoroethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-13-methyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434667
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
11-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145435025
N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 166657626
N-(3-cyano-4-fluorophenyl)-13-methyl-14-oxo-11-[(2,2,2-trifluoroethylamino)methyl]-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434870
N-(4-fluoro-3-methylphenyl)-13-methyl-11-(methylaminomethyl)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 146715834
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
N-(3-chloro-4-fluorophenyl)-11,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 146670656
N-(3,4-difluorophenyl)-4-methyl-3-oxospiro[4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-5,1'-cyclopropane]-12-carboxamide
CID 155262214
4-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 3861882
N-(3-chloro-4-fluorophenyl)-13-methyl-14-oxo-11-[(2-oxopyrrolidin-1-yl)methyl]-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434801

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 166657661) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1c2c(nn1CCCNC=O)CCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C2.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is TZIKAXKUMOSGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N5O2/c1-12-14-10-27(8-5-17(14)26-28(12)7-2-6-24-11-29)18(30)25-13-3-4-16(20)15(9-13)19(21,22)23/h3-4,9,11H,2,5-8,10H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 427.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-formamidopropyl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 166657661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).