N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide

C22H21F3N4O — CID 90614186

IUPACN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)17-7-5-16(6-8-17)21(30)27-13-14-29-19-4-2-1-3-18(19)20(28-29)15-9-11-26-12-10-15/h5-12H,1-4,13-14H2,(H,27,30)
InChIKeyKMZHUDAOHPSFFF-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.27
Rot. Bonds5

About N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 90614186) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID90614186
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)17-7-5-16(6-8-17)21(30)27-13-14-29-19-4-2-1-3-18(19)20(28-29)15-9-11-26-12-10-15/h5-12H,1-4,13-14H2,(H,27,30)
InChIKeyKMZHUDAOHPSFFF-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolopyridine, 49
CID 25022681
4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
Safimaltib
CID 134609793
OT-82
CID 118203189
(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-3,3'-Difluoro-(1,1'-Biphenyl)-4-Carboxamide
CID 72706059
c-Met Inhibitor D6808
CID 165437862
Pyrrolopyridine, 26
CID 16720202
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
3,3'-Difluoro-N-[(2s)-3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl]biphenyl-4-Carboxamide
CID 71677776
4-[2,5-Bis(Fluoranyl)phenyl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
CID 74331697

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 90614186) is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is KMZHUDAOHPSFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c23-22(24,25)17-7-5-16(6-8-17)21(30)27-13-14-29-19-4-2-1-3-18(19)20(28-29)15-9-11-26-12-10-15/h5-12H,1-4,13-14H2,(H,27,30).
What are the key properties of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 414.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90614186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).