N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide

C27H27ClN4O4 — CID 25103426

IUPACN-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)cc1OC
InChIInChI=1S/C27H27ClN4O4/c1-27(2,15-29-26(34)24-18-7-5-6-8-21(18)31-32-24)19-11-10-17(14-20(19)28)30-25(33)16-9-12-22(35-3)23(13-16)36-4/h5-14H,15H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)
InChIKeyMOOHABKGNKPFSN-UHFFFAOYSA-N
MW506.99 g/mol
LogP5.19
Rot. Bonds8

About N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide

N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide (PubChem CID 25103426) has the molecular formula C27H27ClN4O4 and a molecular weight of 506.99 g/mol. Its IUPAC name is N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide
PubChem CID25103426
Molecular FormulaC27H27ClN4O4
Molecular Weight506.99 g/mol
Exact Mass506.17
IUPAC NameN-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)cc1OC
InChIInChI=1S/C27H27ClN4O4/c1-27(2,15-29-26(34)24-18-7-5-6-8-21(18)31-32-24)19-11-10-17(14-20(19)28)30-25(33)16-9-12-22(35-3)23(13-16)36-4/h5-14H,15H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)
InChIKeyMOOHABKGNKPFSN-UHFFFAOYSA-N
XLogP5.19
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 161116997
N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide
CID 67545057
[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
CID 174590959
N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 67545489
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[3-chloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide;3,4-dimethoxybenzoyl chloride
CID 158174287
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858528
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 110899639
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide (CID 25103426) is N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide is COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)cc1OC.
What is the InChIKey of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide?
The InChIKey is MOOHABKGNKPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O4/c1-27(2,15-29-26(34)24-18-7-5-6-8-21(18)31-32-24)19-11-10-17(14-20(19)28)30-25(33)16-9-12-22(35-3)23(13-16)36-4/h5-14H,15H2,1-4H3,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide?
N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide has a molecular weight of 506.99 g/mol, XLogP of 5.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 25103426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).