2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide

C66H87BrN8O3 — CID 123907554

IUPAC2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccn2nc(-c3ccccc3Br)c(C=CCN3CCCCC3CC(=O)c3ccccc3-c3nn4ccc(C(=O)N(CCC(C)C)CCC(C)C)cc4c3C=CCN3CCCCC3)c2c1
InChIInChI=1S/C66H87BrN8O3/c1-47(2)27-38-72(39-28-48(3)4)65(77)51-31-42-74-60(44-51)57(24-18-35-70-33-15-9-16-34-70)63(68-74)55-22-11-10-21-54(55)62(76)46-53-20-14-17-36-71(53)37-19-25-58-61-45-52(66(78)73(40-29-49(5)6)41-30-50(7)8)32-43-75(61)69-64(58)56-23-12-13-26-59(56)67/h10-13,18-19,21-26,31-32,42-45,47-50,53H,9,14-17,20,27-30,33-41,46H2,1-8H3
InChIKeyKDOGNIRZRTYONT-UHFFFAOYSA-N
MW1120.38 g/mol
LogP14.79
Rot. Bonds25

About 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide

2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 123907554) has the molecular formula C66H87BrN8O3 and a molecular weight of 1120.38 g/mol. Its IUPAC name is 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID123907554
Molecular FormulaC66H87BrN8O3
Molecular Weight1120.38 g/mol
Exact Mass1118.61
IUPAC Name2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccn2nc(-c3ccccc3Br)c(C=CCN3CCCCC3CC(=O)c3ccccc3-c3nn4ccc(C(=O)N(CCC(C)C)CCC(C)C)cc4c3C=CCN3CCCCC3)c2c1
InChIInChI=1S/C66H87BrN8O3/c1-47(2)27-38-72(39-28-48(3)4)65(77)51-31-42-74-60(44-51)57(24-18-35-70-33-15-9-16-34-70)63(68-74)55-22-11-10-21-54(55)62(76)46-53-20-14-17-36-71(53)37-19-25-58-61-45-52(66(78)73(40-29-49(5)6)41-30-50(7)8)32-43-75(61)69-64(58)56-23-12-13-26-59(56)67/h10-13,18-19,21-26,31-32,42-45,47-50,53H,9,14-17,20,27-30,33-41,46H2,1-8H3
InChIKeyKDOGNIRZRTYONT-UHFFFAOYSA-N
XLogP14.79
TPSA98.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.38
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Related Compounds

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(2-Methylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
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2-(2-Methylphenyl)-1-{4-[3-(piperidinocarbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidino}-1-ethanone
CID 50849037
{5-[1-(4-Bromobenzoyl)-4-piperidyl]pyrazolo[1,5-a]pyridin-3-yl}(1-pyrrolidinyl)methanone
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{5-[1-(3-Bromobenzoyl)-4-piperidyl]pyrazolo[1,5-a]pyridin-3-yl}(piperidino)methanone
CID 50849069
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CID 172471249
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CID 68798463
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[7-(2-fluoro-3-pyridinyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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CID 68799678
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CID 68800054
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 123907554) is 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccn2nc(-c3ccccc3Br)c(C=CCN3CCCCC3CC(=O)c3ccccc3-c3nn4ccc(C(=O)N(CCC(C)C)CCC(C)C)cc4c3C=CCN3CCCCC3)c2c1.
What is the InChIKey of 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is KDOGNIRZRTYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H87BrN8O3/c1-47(2)27-38-72(39-28-48(3)4)65(77)51-31-42-74-60(44-51)57(24-18-35-70-33-15-9-16-34-70)63(68-74)55-22-11-10-21-54(55)62(76)46-53-20-14-17-36-71(53)37-19-25-58-61-45-52(66(78)73(40-29-49(5)6)41-30-50(7)8)32-43-75(61)69-64(58)56-23-12-13-26-59(56)67/h10-13,18-19,21-26,31-32,42-45,47-50,53H,9,14-17,20,27-30,33-41,46H2,1-8H3.
What are the key properties of 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide?
2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 1120.38 g/mol, XLogP of 14.79, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-(2-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enyl]piperidin-2-yl]acetyl]phenyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylprop-1-enyl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 123907554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).