3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide

C26H26FN5O2 — CID 122603889

IUPAC3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2F)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
InChIInChI=1S/C26H26FN5O2/c1-13-16(14-10-18-22(31-32-23(18)28)19(11-14)24(29)33)6-5-7-21(13)30-25(34)17-9-8-15(12-20(17)27)26(2,3)4/h5-12H,1-4H3,(H2,29,33)(H,30,34)(H3,28,31,32)
InChIKeyZRMQIITVCNSMEV-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.91
Rot. Bonds4

About 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide

3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide (PubChem CID 122603889) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide
PubChem CID122603889
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2F)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
InChIInChI=1S/C26H26FN5O2/c1-13-16(14-10-18-22(31-32-23(18)28)19(11-14)24(29)33)6-5-7-21(13)30-25(34)17-9-8-15(12-20(17)27)26(2,3)4/h5-12H,1-4H3,(H2,29,33)(H,30,34)(H3,28,31,32)
InChIKeyZRMQIITVCNSMEV-UHFFFAOYSA-N
XLogP4.91
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-(3,5-dicyano-1,2,6-trimethyl-1,4-dihydropyridin-4-yl)-6-fluoro-7-methyl-1H-indazol-3-yl)-2-ethylbenzamide
CID 134817183
N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 70690444
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 118726120
1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 137658885
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-fluoroethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25174241
3-amino-N-[3-[[(3,4-difluorophenyl)carbamoylamino]methyl]phenyl]-1H-indazole-4-carboxamide
CID 25174496
2-Amino-N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 25175860
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 50997019
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 53373589

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide?
The IUPAC name of 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide (CID 122603889) is 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide?
The canonical SMILES for 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2F)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1.
What is the InChIKey of 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide?
The InChIKey is ZRMQIITVCNSMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-13-16(14-10-18-22(31-32-23(18)28)19(11-14)24(29)33)6-5-7-21(13)30-25(34)17-9-8-15(12-20(17)27)26(2,3)4/h5-12H,1-4H3,(H2,29,33)(H,30,34)(H3,28,31,32).
What are the key properties of 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide?
3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylphenyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 122603889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).