N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide

C25H28N6O — CID 118710463

IUPACN-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc3ccccc3n2)CC1)c1cn2ccccc2n1
InChIInChI=1S/C25H28N6O/c32-25(22-19-31-14-5-3-9-23(31)28-22)26-12-4-6-13-29-15-17-30(18-16-29)24-11-10-20-7-1-2-8-21(20)27-24/h1-3,5,7-11,14,19H,4,6,12-13,15-18H2,(H,26,32)
InChIKeyBWWHZGYOJOBIMA-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.21
Rot. Bonds7

About N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118710463) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118710463
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc3ccccc3n2)CC1)c1cn2ccccc2n1
InChIInChI=1S/C25H28N6O/c32-25(22-19-31-14-5-3-9-23(31)28-22)26-12-4-6-13-29-15-17-30(18-16-29)24-11-10-20-7-1-2-8-21(20)27-24/h1-3,5,7-11,14,19H,4,6,12-13,15-18H2,(H,26,32)
InChIKeyBWWHZGYOJOBIMA-UHFFFAOYSA-N
XLogP3.21
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.21
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-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 118710463) is N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCCCCN1CCN(c2ccc3ccccc3n2)CC1)c1cn2ccccc2n1.
What is the InChIKey of N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is BWWHZGYOJOBIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c32-25(22-19-31-14-5-3-9-23(31)28-22)26-12-4-6-13-29-15-17-30(18-16-29)24-11-10-20-7-1-2-8-21(20)27-24/h1-3,5,7-11,14,19H,4,6,12-13,15-18H2,(H,26,32).
What are the key properties of N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118710463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).