N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide

C19H16F2N4O2 — CID 24819324

IUPACN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccc[n+]([O-])c1
InChIInChI=1S/C19H16F2N4O2/c20-13-7-14(21)9-15(8-13)25-18-5-1-4-17(16(18)10-22-25)23-19(26)12-3-2-6-24(27)11-12/h2-3,6-11,17H,1,4-5H2,(H,23,26)
InChIKeyJOEWKRAUDHJYMV-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.59
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide

N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide (PubChem CID 24819324) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
PubChem CID24819324
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccc[n+]([O-])c1
InChIInChI=1S/C19H16F2N4O2/c20-13-7-14(21)9-15(8-13)25-18-5-1-4-17(16(18)10-22-25)23-19(26)12-3-2-6-24(27)11-12/h2-3,6-11,17H,1,4-5H2,(H,23,26)
InChIKeyJOEWKRAUDHJYMV-UHFFFAOYSA-N
XLogP2.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Safimaltib
CID 134609793
Csf1R-IN-1
CID 137333440
GPR52 receptor modulator 1
CID 156735500
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
CID 56659488
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71734029
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10222604
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
CID 16192366
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-pyrazinyl)propanamide
CID 24792097
US10889564, Example 1
CID 24819270

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide (CID 24819324) is N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide is O=C(NC1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccc[n+]([O-])c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide?
The InChIKey is JOEWKRAUDHJYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-13-7-14(21)9-15(8-13)25-18-5-1-4-17(16(18)10-22-25)23-19(26)12-3-2-6-24(27)11-12/h2-3,6-11,17H,1,4-5H2,(H,23,26).
What are the key properties of N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide?
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide is sourced from PubChem (CID 24819324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).