N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide

C23H24FN3O4 — CID 24793842

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C23H24FN3O4/c1-29-20-11-14(12-21(30-2)22(20)31-3)23(28)26-17-8-6-10-18-15(17)13-25-27(18)19-9-5-4-7-16(19)24/h4-5,7,9,11-13,17H,6,8,10H2,1-3H3,(H,26,28)
InChIKeyVLDXHWXPIYVRSQ-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide (PubChem CID 24793842) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide
PubChem CID24793842
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C23H24FN3O4/c1-29-20-11-14(12-21(30-2)22(20)31-3)23(28)26-17-8-6-10-18-15(17)13-25-27(18)19-9-5-4-7-16(19)24/h4-5,7,9,11-13,17H,6,8,10H2,1-3H3,(H,26,28)
InChIKeyVLDXHWXPIYVRSQ-UHFFFAOYSA-N
XLogP3.84
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Methyl-pyrazol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 899247
3-{5-[(2-Fluorophenyl)amino]-1h-Indazol-1-Yl}-N-(3,4,5-Trimethoxyphenyl)benzamide
CID 25174103
N-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11957224
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4,5-trimethoxybenzamide
CID 1123637
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4-dimethoxybenzamide
CID 24791056
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3,4-dimethoxybenzamide
CID 24817083
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,3-dimethoxybenzamide
CID 24817335
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-methoxybenzamide
CID 24817340
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3,4-trimethoxy-benzamide
CID 24817766
(Z)-3-(1H-indazol-4-ylamino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 60154816
1,3-diphenyl-N-[[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methyl]pyrazole-4-carboxamide
CID 134148953
3-(4-methoxyphenyl)-1-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazole-4-carboxamide
CID 155515933

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide (CID 24793842) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)cc(OC)c1OC.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is VLDXHWXPIYVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-29-20-11-14(12-21(30-2)22(20)31-3)23(28)26-17-8-6-10-18-15(17)13-25-27(18)19-9-5-4-7-16(19)24/h4-5,7,9,11-13,17H,6,8,10H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 425.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 24793842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).