N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide

C57H51N9O6 — CID 123172551

IUPACN-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(CCOc2ccc(-c3c(C(=O)N(Cc4ccccn4)C4CC4)[nH]c4cc(-c5cn[nH]c5)ccc34)cc2OC)C(=O)c2[nH]c3cc(-c4cn[nH]c4)ccc3c2-c2cccc(OC)c2)c1
InChIInChI=1S/C57H51N9O6/c1-69-44-11-6-8-35(24-44)33-65(56(67)54-52(38-9-7-12-45(25-38)70-2)46-18-13-36(26-48(46)63-54)40-29-59-60-30-40)22-23-72-50-20-15-39(28-51(50)71-3)53-47-19-14-37(41-31-61-62-32-41)27-49(47)64-55(53)57(68)66(43-16-17-43)34-42-10-4-5-21-58-42/h4-15,18-21,24-32,43,63-64H,16-17,22-23,33-34H2,1-3H3,(H,59,60)(H,61,62)
InChIKeyOAPPSKRUMWXSNC-UHFFFAOYSA-N
MW958.09 g/mol
LogP10.71
Rot. Bonds18

About N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide

N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (PubChem CID 123172551) has the molecular formula C57H51N9O6 and a molecular weight of 958.09 g/mol. Its IUPAC name is N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
PubChem CID123172551
Molecular FormulaC57H51N9O6
Molecular Weight958.09 g/mol
Exact Mass957.40
IUPAC NameN-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(CCOc2ccc(-c3c(C(=O)N(Cc4ccccn4)C4CC4)[nH]c4cc(-c5cn[nH]c5)ccc34)cc2OC)C(=O)c2[nH]c3cc(-c4cn[nH]c4)ccc3c2-c2cccc(OC)c2)c1
InChIInChI=1S/C57H51N9O6/c1-69-44-11-6-8-35(24-44)33-65(56(67)54-52(38-9-7-12-45(25-38)70-2)46-18-13-36(26-48(46)63-54)40-29-59-60-30-40)22-23-72-50-20-15-39(28-51(50)71-3)53-47-19-14-37(41-31-61-62-32-41)27-49(47)64-55(53)57(68)66(43-16-17-43)34-42-10-4-5-21-58-42/h4-15,18-21,24-32,43,63-64H,16-17,22-23,33-34H2,1-3H3,(H,59,60)(H,61,62)
InChIKeyOAPPSKRUMWXSNC-UHFFFAOYSA-N
XLogP10.71
TPSA179.37 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.09
LogP ≤ 510.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933917
(6S)-6-benzyl-1-(1H-indazol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600919
N-[6-[3-fluoro-4-[3-(1H-indol-3-ylcarbamoyl)-1H-pyrazol-5-yl]phenyl]-1H-indol-3-yl]-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154652737
(4R)-4-[3-[3-(2-cyclopropylacetyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;(4R)-4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 159649451
US12473304, Example 180
CID 156828849
N-[(3-methoxyphenyl)methyl]-3-[(2-phenylpyrrolidin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933430
N-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933686
N-cyclopropyl-3-(3-methoxyphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 68374770
N-(2-hydroxyethyl)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 68374773
3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 68374774
N-cyclopropyl-3-(3-methoxyphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 68374775
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 68374801

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (CID 123172551) is N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is COc1cccc(CN(CCOc2ccc(-c3c(C(=O)N(Cc4ccccn4)C4CC4)[nH]c4cc(-c5cn[nH]c5)ccc34)cc2OC)C(=O)c2[nH]c3cc(-c4cn[nH]c4)ccc3c2-c2cccc(OC)c2)c1.
What is the InChIKey of N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The InChIKey is OAPPSKRUMWXSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51N9O6/c1-69-44-11-6-8-35(24-44)33-65(56(67)54-52(38-9-7-12-45(25-38)70-2)46-18-13-36(26-48(46)63-54)40-29-59-60-30-40)22-23-72-50-20-15-39(28-51(50)71-3)53-47-19-14-37(41-31-61-62-32-41)27-49(47)64-55(53)57(68)66(43-16-17-43)34-42-10-4-5-21-58-42/h4-15,18-21,24-32,43,63-64H,16-17,22-23,33-34H2,1-3H3,(H,59,60)(H,61,62).
What are the key properties of N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide has a molecular weight of 958.09 g/mol, XLogP of 10.71, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]-6-(1H-pyrazol-4-yl)-1H-indol-3-yl]-2-methoxyphenoxy]ethyl]-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 123172551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).