N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide

C28H27FN4O4 — CID 171685415

IUPACN-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4[nH]nc5c(F)cccc45)cc3)CC2)cc1OC
InChIInChI=1S/C28H27FN4O4/c1-36-23-11-8-19(16-24(23)37-2)28(35)33-14-12-18(13-15-33)17-6-9-20(10-7-17)30-27(34)26-21-4-3-5-22(29)25(21)31-32-26/h3-11,16,18H,12-15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyMMCCMNYWVBIPPK-UHFFFAOYSA-N
MW502.55 g/mol
LogP4.99
Rot. Bonds6

About N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide

N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 171685415) has the molecular formula C28H27FN4O4 and a molecular weight of 502.55 g/mol. Its IUPAC name is N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
PubChem CID171685415
Molecular FormulaC28H27FN4O4
Molecular Weight502.55 g/mol
Exact Mass502.20
IUPAC NameN-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4[nH]nc5c(F)cccc45)cc3)CC2)cc1OC
InChIInChI=1S/C28H27FN4O4/c1-36-23-11-8-19(16-24(23)37-2)28(35)33-14-12-18(13-15-33)17-6-9-20(10-7-17)30-27(34)26-21-4-3-5-22(29)25(21)31-32-26/h3-11,16,18H,12-15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyMMCCMNYWVBIPPK-UHFFFAOYSA-N
XLogP4.99
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-[1-(7-fluoro-2H-indazole-3-carbonyl)piperidin-4-yl]phenyl]carbamoyl]-3-methylbenzoate
CID 171684337
N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1005497
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
CID 172889479
4-chloro-N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 171685466
N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 171685696
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171684282
(3,4-dimethoxyphenyl)-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137765

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
The IUPAC name of N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide (CID 171685415) is N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide is COc1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4[nH]nc5c(F)cccc45)cc3)CC2)cc1OC.
What is the InChIKey of N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
The InChIKey is MMCCMNYWVBIPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O4/c1-36-23-11-8-19(16-24(23)37-2)28(35)33-14-12-18(13-15-33)17-6-9-20(10-7-17)30-27(34)26-21-4-3-5-22(29)25(21)31-32-26/h3-11,16,18H,12-15H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 171685415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).