3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

C63H62F3N11O6 — CID 167639007

IUPAC3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C1=CC=NC1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C1=CC=NC1
InChIInChI=1S/2C22H22N4O2.C19H18F3N3O2/c1-3-28-21-11-16(5-6-19(21)17-8-9-23-12-17)22(27)26(2)14-15-4-7-20-18(10-15)13-24-25-20;1-3-28-21-11-16(6-7-19(21)17-8-9-23-12-17)22(27)26(2)14-15-4-5-18-13-24-25-20(18)10-15;1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16/h2*4-11,13H,3,12,14H2,1-2H3,(H,24,25);4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyOWWUAVNUCITIRR-UHFFFAOYSA-N
MW1126.25 g/mol
LogP11.66
Rot. Bonds17

About 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 167639007) has the molecular formula C63H62F3N11O6 and a molecular weight of 1126.25 g/mol. Its IUPAC name is 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID167639007
Molecular FormulaC63H62F3N11O6
Molecular Weight1126.25 g/mol
Exact Mass1125.48
IUPAC Name3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C1=CC=NC1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C1=CC=NC1
InChIInChI=1S/2C22H22N4O2.C19H18F3N3O2/c1-3-28-21-11-16(5-6-19(21)17-8-9-23-12-17)22(27)26(2)14-15-4-7-20-18(10-15)13-24-25-20;1-3-28-21-11-16(6-7-19(21)17-8-9-23-12-17)22(27)26(2)14-15-4-5-18-13-24-25-20(18)10-15;1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16/h2*4-11,13H,3,12,14H2,1-2H3,(H,24,25);4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyOWWUAVNUCITIRR-UHFFFAOYSA-N
XLogP11.66
TPSA199.38 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001126.25
LogP ≤ 511.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
CID 56591398
N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663022
Nop-46
CID 122483505
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
CID 165385027
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
CID 165385069
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 165385076
N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385141
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide
CID 165385161
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide
CID 165385176
4-(2,6-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385314
3-ethoxy-4-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385334
3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385362

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (CID 167639007) is 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C1=CC=NC1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C1=CC=NC1.
What is the InChIKey of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is OWWUAVNUCITIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N4O2.C19H18F3N3O2/c1-3-28-21-11-16(5-6-19(21)17-8-9-23-12-17)22(27)26(2)14-15-4-7-20-18(10-15)13-24-25-20;1-3-28-21-11-16(6-7-19(21)17-8-9-23-12-17)22(27)26(2)14-15-4-5-18-13-24-25-20(18)10-15;1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16/h2*4-11,13H,3,12,14H2,1-2H3,(H,24,25);4-10H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 1126.25 g/mol, XLogP of 11.66, 17 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 167639007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).