[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate

C98H129ClN12O7 — CID 123922047

IUPAC[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccn2nc(-c3cccc(Cl)c3)c(C=CCN3CCCCC3OC(=O)c3cccc(-c4nn5ccc(C(=O)N(CCC(C)C)CCC(C)C)cc5c4C=CCN4CCCCC4OC(=O)c4cccc(-c5nn6ccc(C(=O)N(CCC(C)C)CCC(C)C)cc6c5CCCN5CCCCC5)c4)c3)c2c1
InChIInChI=1S/C98H129ClN12O7/c1-68(2)37-53-106(54-38-69(3)4)94(112)77-43-59-109-86(65-77)83(32-23-48-103-46-16-13-17-47-103)91(100-109)74-26-20-29-80(62-74)97(115)117-89-35-14-18-49-104(89)51-24-33-84-87-66-78(95(113)107(55-39-70(5)6)56-40-71(7)8)44-60-110(87)101-92(84)75-27-21-30-81(63-75)98(116)118-90-36-15-19-50-105(90)52-25-34-85-88-67-79(96(114)108(57-41-72(9)10)58-42-73(11)12)45-61-111(88)102-93(85)76-28-22-31-82(99)64-76/h20-22,24-31,33-34,43-45,59-73,89-90H,13-19,23,32,35-42,46-58H2,1-12H3
InChIKeyVBHRFPWKJATEQT-UHFFFAOYSA-N
MW1622.64 g/mol
LogP20.67
Rot. Bonds38

About [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate

[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate (PubChem CID 123922047) has the molecular formula C98H129ClN12O7 and a molecular weight of 1622.64 g/mol. Its IUPAC name is [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Name[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate
PubChem CID123922047
Molecular FormulaC98H129ClN12O7
Molecular Weight1622.64 g/mol
Exact Mass1620.98
IUPAC Name[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccn2nc(-c3cccc(Cl)c3)c(C=CCN3CCCCC3OC(=O)c3cccc(-c4nn5ccc(C(=O)N(CCC(C)C)CCC(C)C)cc5c4C=CCN4CCCCC4OC(=O)c4cccc(-c5nn6ccc(C(=O)N(CCC(C)C)CCC(C)C)cc6c5CCCN5CCCCC5)c4)c3)c2c1
InChIInChI=1S/C98H129ClN12O7/c1-68(2)37-53-106(54-38-69(3)4)94(112)77-43-59-109-86(65-77)83(32-23-48-103-46-16-13-17-47-103)91(100-109)74-26-20-29-80(62-74)97(115)117-89-35-14-18-49-104(89)51-24-33-84-87-66-78(95(113)107(55-39-70(5)6)56-40-71(7)8)44-60-110(87)101-92(84)75-27-21-30-81(63-75)98(116)118-90-36-15-19-50-105(90)52-25-34-85-88-67-79(96(114)108(57-41-72(9)10)58-42-73(11)12)45-61-111(88)102-93(85)76-28-22-31-82(99)64-76/h20-22,24-31,33-34,43-45,59-73,89-90H,13-19,23,32,35-42,46-58H2,1-12H3
InChIKeyVBHRFPWKJATEQT-UHFFFAOYSA-N
XLogP20.67
TPSA175.15 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001622.64
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate 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

3-[(1-Butyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158141703
3-[5-[Bis(3-methylbutyl)carbamoyl]-3-[3-[2-[3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoyl]oxypiperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyridin-2-yl]benzoic acid
CID 123953350
Methyl 4-[3,6-bis[1-(oxan-2-yl)pyrazol-4-yl]carbazol-9-yl]benzoate
CID 141758105
2-(2-acetylphenyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-5-carboxamide;ethane;methyl 2-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate
CID 144418028
benzyl N-pyrazolo[1,5-a]pyridin-3-ylcarbamate;2-chloro-N-pyrazolo[1,5-a]pyridin-3-ylbenzamide;ethane;pyrazolo[1,5-a]pyridin-3-amine
CID 158347663
N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;ethyl 5-[5-(5-acetyl-3-pyridinyl)-4-(benzylamino)pyrrolo[1,2-b]pyridazin-2-yl]pyridine-3-carboxylate;ethyl 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]pyridine-3-carboxylate;ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
CID 158480372
2-(4-aminocyclohexyl)propan-2-ol;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
CID 158514318
Methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[2-(3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676253
Ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 159968556
Methyl 3-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-7-yl]benzoate;2-methyl-3-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-7-yl]benzoic acid
CID 176072250
tert-butyl 4-[4-[2-[4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrazol-1-yl]ethyl]piperidin-1-yl]benzoate
CID 176349271

Frequently Asked Questions

What is the IUPAC name of [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate?
The IUPAC name of [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate (CID 123922047) is [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate.
What is the SMILES notation for [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate?
The canonical SMILES for [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate is CC(C)CCN(CCC(C)C)C(=O)c1ccn2nc(-c3cccc(Cl)c3)c(C=CCN3CCCCC3OC(=O)c3cccc(-c4nn5ccc(C(=O)N(CCC(C)C)CCC(C)C)cc5c4C=CCN4CCCCC4OC(=O)c4cccc(-c5nn6ccc(C(=O)N(CCC(C)C)CCC(C)C)cc6c5CCCN5CCCCC5)c4)c3)c2c1.
What is the InChIKey of [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate?
The InChIKey is VBHRFPWKJATEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H129ClN12O7/c1-68(2)37-53-106(54-38-69(3)4)94(112)77-43-59-109-86(65-77)83(32-23-48-103-46-16-13-17-47-103)91(100-109)74-26-20-29-80(62-74)97(115)117-89-35-14-18-49-104(89)51-24-33-84-87-66-78(95(113)107(55-39-70(5)6)56-40-71(7)8)44-60-110(87)101-92(84)75-27-21-30-81(63-75)98(116)118-90-36-15-19-50-105(90)52-25-34-85-88-67-79(96(114)108(57-41-72(9)10)58-42-73(11)12)45-61-111(88)102-93(85)76-28-22-31-82(99)64-76/h20-22,24-31,33-34,43-45,59-73,89-90H,13-19,23,32,35-42,46-58H2,1-12H3.
What are the key properties of [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate?
[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate has a molecular weight of 1622.64 g/mol, XLogP of 20.67, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-[3-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]oxycarbonylphenyl]pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl] 3-[5-[bis(3-methylbutyl)carbamoyl]-3-(3-piperidin-1-ylpropyl)pyrazolo[1,5-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 123922047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).