N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide

C54H72N10O9 — CID 57393628

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1
InChIInChI=1S/C54H72N10O9/c1-67-51-13-5-3-11-47(51)61-27-23-59(24-28-61)19-9-7-17-55-53(65)45-41-57-63-21-15-43(39-49(45)63)72-37-35-70-33-31-69-32-34-71-36-38-73-44-16-22-64-50(40-44)46(42-58-64)54(66)56-18-8-10-20-60-25-29-62(30-26-60)48-12-4-6-14-52(48)68-2/h3-6,11-16,21-22,39-42H,7-10,17-20,23-38H2,1-2H3,(H,55,65)(H,56,66)
InChIKeyOSAOKFNDHSEFAK-UHFFFAOYSA-N
MW1005.23 g/mol
LogP5.17
Rot. Bonds30

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 57393628) has the molecular formula C54H72N10O9 and a molecular weight of 1005.23 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID57393628
Molecular FormulaC54H72N10O9
Molecular Weight1005.23 g/mol
Exact Mass1004.55
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1
InChIInChI=1S/C54H72N10O9/c1-67-51-13-5-3-11-47(51)61-27-23-59(24-28-61)19-9-7-17-55-53(65)45-41-57-63-21-15-43(39-49(45)63)72-37-35-70-33-31-69-32-34-71-36-38-73-44-16-22-64-50(40-44)46(42-58-64)54(66)56-18-8-10-20-60-25-29-62(30-26-60)48-12-4-6-14-52(48)68-2/h3-6,11-16,21-22,39-42H,7-10,17-20,23-38H2,1-2H3,(H,55,65)(H,56,66)
InChIKeyOSAOKFNDHSEFAK-UHFFFAOYSA-N
XLogP5.17
TPSA170.37 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.23
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 57393628) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OSAOKFNDHSEFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H72N10O9/c1-67-51-13-5-3-11-47(51)61-27-23-59(24-28-61)19-9-7-17-55-53(65)45-41-57-63-21-15-43(39-49(45)63)72-37-35-70-33-31-69-32-34-71-36-38-73-44-16-22-64-50(40-44)46(42-58-64)54(66)56-18-8-10-20-60-25-29-62(30-26-60)48-12-4-6-14-52(48)68-2/h3-6,11-16,21-22,39-42H,7-10,17-20,23-38H2,1-2H3,(H,55,65)(H,56,66).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1005.23 g/mol, XLogP of 5.17, 30 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 57393628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).