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

C27H37N5O4 — CID 57400556

IUPAC5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C27H37N5O4/c1-3-35-18-19-36-22-10-13-32-25(20-22)23(21-29-32)27(33)28-11-6-7-12-30-14-16-31(17-15-30)24-8-4-5-9-26(24)34-2/h4-5,8-10,13,20-21H,3,6-7,11-12,14-19H2,1-2H3,(H,28,33)
InChIKeyPKJVDKUHFZYEMN-UHFFFAOYSA-N
MW495.62 g/mol
LogP3.09
Rot. Bonds13

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

5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 57400556) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID57400556
Molecular FormulaC27H37N5O4
Molecular Weight495.62 g/mol
Exact Mass495.28
IUPAC Name5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C27H37N5O4/c1-3-35-18-19-36-22-10-13-32-25(20-22)23(21-29-32)27(33)28-11-6-7-12-30-14-16-31(17-15-30)24-8-4-5-9-26(24)34-2/h4-5,8-10,13,20-21H,3,6-7,11-12,14-19H2,1-2H3,(H,28,33)
InChIKeyPKJVDKUHFZYEMN-UHFFFAOYSA-N
XLogP3.09
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 57400556) is 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PKJVDKUHFZYEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-3-35-18-19-36-22-10-13-32-25(20-22)23(21-29-32)27(33)28-11-6-7-12-30-14-16-31(17-15-30)24-8-4-5-9-26(24)34-2/h4-5,8-10,13,20-21H,3,6-7,11-12,14-19H2,1-2H3,(H,28,33).
What are the key properties of 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 495.62 g/mol, XLogP of 3.09, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 57400556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).