N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide

C23H29N5O2 — CID 10862425

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
InChIKeyYZQXLVIDXVUDPY-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.68
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 10862425) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID10862425
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
InChIKeyYZQXLVIDXVUDPY-UHFFFAOYSA-N
XLogP2.68
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 10862425) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is YZQXLVIDXVUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 10862425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).