N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide

C24H30ClN5O2 — CID 130431309

IUPACN-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCc1cccc(N2CCN(CC(O)CCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
InChIInChI=1S/C24H30ClN5O2/c1-2-18-6-5-7-21(23(18)25)29-14-12-28(13-15-29)16-19(31)9-10-26-24(32)20-17-30-11-4-3-8-22(30)27-20/h3-8,11,17,19,31H,2,9-10,12-16H2,1H3,(H,26,32)
InChIKeyLNMWMYAAMASJED-UHFFFAOYSA-N
MW455.99 g/mol
LogP2.85
Rot. Bonds8

About N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 130431309) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID130431309
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC NameN-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCc1cccc(N2CCN(CC(O)CCNC(=O)c3cn4ccccc4n3)CC2)c1Cl
InChIInChI=1S/C24H30ClN5O2/c1-2-18-6-5-7-21(23(18)25)29-14-12-28(13-15-29)16-19(31)9-10-26-24(32)20-17-30-11-4-3-8-22(30)27-20/h3-8,11,17,19,31H,2,9-10,12-16H2,1H3,(H,26,32)
InChIKeyLNMWMYAAMASJED-UHFFFAOYSA-N
XLogP2.85
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 130431309) is N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide is CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cn4ccccc4n3)CC2)c1Cl.
What is the InChIKey of N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LNMWMYAAMASJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c1-2-18-6-5-7-21(23(18)25)29-14-12-28(13-15-29)16-19(31)9-10-26-24(32)20-17-30-11-4-3-8-22(30)27-20/h3-8,11,17,19,31H,2,9-10,12-16H2,1H3,(H,26,32).
What are the key properties of N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 130431309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).