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

C28H31N5O — CID 11648148

IUPACN-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)c1cc2ccccn2n1
InChIInChI=1S/C28H31N5O/c34-28(26-22-24-12-6-8-17-33(24)30-26)29-15-7-9-16-31-18-20-32(21-19-31)27-14-5-4-13-25(27)23-10-2-1-3-11-23/h1-6,8,10-14,17,22H,7,9,15-16,18-21H2,(H,29,34)
InChIKeyKJKWSIVXPVEATO-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.33
Rot. Bonds8

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

N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 11648148) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID11648148
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC NameN-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)c1cc2ccccn2n1
InChIInChI=1S/C28H31N5O/c34-28(26-22-24-12-6-8-17-33(24)30-26)29-15-7-9-16-31-18-20-32(21-19-31)27-14-5-4-13-25(27)23-10-2-1-3-11-23/h1-6,8,10-14,17,22H,7,9,15-16,18-21H2,(H,29,34)
InChIKeyKJKWSIVXPVEATO-UHFFFAOYSA-N
XLogP4.33
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11523990
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11662289
N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylpropanamide
CID 22397709
3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-amine
CID 140972357
N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287294
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45279304
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-9-oxofluorene-2-carboxamide;hydrochloride
CID 19366294
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6626200
4-methyl-N'-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]-2-(pyridin-3-ylmethyl)pentanediamide
CID 57285427
N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
CID 134156520
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 11648148) is N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)c1cc2ccccn2n1.
What is the InChIKey of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is KJKWSIVXPVEATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c34-28(26-22-24-12-6-8-17-33(24)30-26)29-15-7-9-16-31-18-20-32(21-19-31)27-14-5-4-13-25(27)23-10-2-1-3-11-23/h1-6,8,10-14,17,22H,7,9,15-16,18-21H2,(H,29,34).
What are the key properties of N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 11648148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).