3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide

C92H76N18O4 — CID 160594906

IUPAC3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide
SMILESC(#CC1CC1)c1[nH]nc2ccccc12.C(#CC1CCCC1)c1[nH]nc2ccccc12.COc1ccc(C#Cc2[nH]nc3ccccc23)cc1.COc1ccc(C(NC(=O)c2ccc3c(C#Cc4cncn4C)[nH]nc3c2)c2ccncc2)cc1.Cn1cncc1C#Cc1[nH]nc2cc(C(=O)NCc3cc4ccccc4[nH]3)ccc12
InChIInChI=1S/C27H22N6O2.C23H18N6O.C16H12N2O.C14H14N2.C12H10N2/c1-33-17-29-16-21(33)6-10-24-23-9-5-20(15-25(23)32-31-24)27(34)30-26(19-11-13-28-14-12-19)18-3-7-22(35-2)8-4-18;1-29-14-24-13-18(29)7-9-21-19-8-6-16(11-22(19)28-27-21)23(30)25-12-17-10-15-4-2-3-5-20(15)26-17;1-19-13-9-6-12(7-10-13)8-11-16-14-4-2-3-5-15(14)17-18-16;1-2-6-11(5-1)9-10-14-12-7-3-4-8-13(12)15-16-14;1-2-4-11-10(3-1)12(14-13-11)8-7-9-5-6-9/h3-5,7-9,11-17,26H,1-2H3,(H,30,34)(H,31,32);2-6,8,10-11,13-14,26H,12H2,1H3,(H,25,30)(H,27,28);2-7,9-10H,1H3,(H,17,18);3-4,7-8,11H,1-2,5-6H2,(H,15,16);1-4,9H,5-6H2,(H,13,14)
InChIKeyRDMQTPQKKSZMBH-UHFFFAOYSA-N
MW1497.74 g/mol
LogP15.13
Rot. Bonds9

About 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide

3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide (PubChem CID 160594906) has the molecular formula C92H76N18O4 and a molecular weight of 1497.74 g/mol. Its IUPAC name is 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide
PubChem CID160594906
Molecular FormulaC92H76N18O4
Molecular Weight1497.74 g/mol
Exact Mass1496.63
IUPAC Name3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide
SMILESC(#CC1CC1)c1[nH]nc2ccccc12.C(#CC1CCCC1)c1[nH]nc2ccccc12.COc1ccc(C#Cc2[nH]nc3ccccc23)cc1.COc1ccc(C(NC(=O)c2ccc3c(C#Cc4cncn4C)[nH]nc3c2)c2ccncc2)cc1.Cn1cncc1C#Cc1[nH]nc2cc(C(=O)NCc3cc4ccccc4[nH]3)ccc12
InChIInChI=1S/C27H22N6O2.C23H18N6O.C16H12N2O.C14H14N2.C12H10N2/c1-33-17-29-16-21(33)6-10-24-23-9-5-20(15-25(23)32-31-24)27(34)30-26(19-11-13-28-14-12-19)18-3-7-22(35-2)8-4-18;1-29-14-24-13-18(29)7-9-21-19-8-6-16(11-22(19)28-27-21)23(30)25-12-17-10-15-4-2-3-5-20(15)26-17;1-19-13-9-6-12(7-10-13)8-11-16-14-4-2-3-5-15(14)17-18-16;1-2-6-11(5-1)9-10-14-12-7-3-4-8-13(12)15-16-14;1-2-4-11-10(3-1)12(14-13-11)8-7-9-5-6-9/h3-5,7-9,11-17,26H,1-2H3,(H,30,34)(H,31,32);2-6,8,10-11,13-14,26H,12H2,1H3,(H,25,30)(H,27,28);2-7,9-10H,1H3,(H,17,18);3-4,7-8,11H,1-2,5-6H2,(H,15,16);1-4,9H,5-6H2,(H,13,14)
InChIKeyRDMQTPQKKSZMBH-UHFFFAOYSA-N
XLogP15.13
TPSA284.38 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001497.74
LogP ≤ 515.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide with MolForge

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Related Compounds

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(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione
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CID 162075177
N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-7-fluoro-2H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-[(3S)-2,2-difluoro-4-methylpentan-3-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-[(3S)-2,2-difluoropentan-3-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-(2,2-difluoropropyl)-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide?
The IUPAC name of 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide (CID 160594906) is 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide.
What is the SMILES notation for 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide?
The canonical SMILES for 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide is C(#CC1CC1)c1[nH]nc2ccccc12.C(#CC1CCCC1)c1[nH]nc2ccccc12.COc1ccc(C#Cc2[nH]nc3ccccc23)cc1.COc1ccc(C(NC(=O)c2ccc3c(C#Cc4cncn4C)[nH]nc3c2)c2ccncc2)cc1.Cn1cncc1C#Cc1[nH]nc2cc(C(=O)NCc3cc4ccccc4[nH]3)ccc12.
What is the InChIKey of 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide?
The InChIKey is RDMQTPQKKSZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2.C23H18N6O.C16H12N2O.C14H14N2.C12H10N2/c1-33-17-29-16-21(33)6-10-24-23-9-5-20(15-25(23)32-31-24)27(34)30-26(19-11-13-28-14-12-19)18-3-7-22(35-2)8-4-18;1-29-14-24-13-18(29)7-9-21-19-8-6-16(11-22(19)28-27-21)23(30)25-12-17-10-15-4-2-3-5-20(15)26-17;1-19-13-9-6-12(7-10-13)8-11-16-14-4-2-3-5-15(14)17-18-16;1-2-6-11(5-1)9-10-14-12-7-3-4-8-13(12)15-16-14;1-2-4-11-10(3-1)12(14-13-11)8-7-9-5-6-9/h3-5,7-9,11-17,26H,1-2H3,(H,30,34)(H,31,32);2-6,8,10-11,13-14,26H,12H2,1H3,(H,25,30)(H,27,28);2-7,9-10H,1H3,(H,17,18);3-4,7-8,11H,1-2,5-6H2,(H,15,16);1-4,9H,5-6H2,(H,13,14).
What are the key properties of 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide?
3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide has a molecular weight of 1497.74 g/mol, XLogP of 15.13, 9 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethynyl)-2H-indazole;3-(2-cyclopropylethynyl)-2H-indazole;N-(1H-indol-2-ylmethyl)-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide;3-[2-(4-methoxyphenyl)ethynyl]-2H-indazole;N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-[2-(3-methylimidazol-4-yl)ethynyl]-2H-indazole-6-carboxamide is sourced from PubChem (CID 160594906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).