N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide

C22H19ClFN5O — CID 53040040

IUPACN-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClFN5O/c23-17-6-4-15(5-7-17)13-27-20(30)8-9-26-22-21(16-2-1-3-18(24)12-16)28-19-14-25-10-11-29(19)22/h1-7,10-12,14,26H,8-9,13H2,(H,27,30)
InChIKeyUYUMFVYCQWQJPW-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.31
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide

N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (PubChem CID 53040040) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
PubChem CID53040040
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClFN5O/c23-17-6-4-15(5-7-17)13-27-20(30)8-9-26-22-21(16-2-1-3-18(24)12-16)28-19-14-25-10-11-29(19)22/h1-7,10-12,14,26H,8-9,13H2,(H,27,30)
InChIKeyUYUMFVYCQWQJPW-UHFFFAOYSA-N
XLogP4.31
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Alpidem
CID 54897
Saripidem
CID 3058746
CB 34
CID 6603782
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Diphenyl purine derivative 5
CID 72713196
4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 11675388
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
N-Butyl-2-[6,8-dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-acetamide
CID 11201082
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 46870040

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (CID 53040040) is N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The InChIKey is UYUMFVYCQWQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c23-17-6-4-15(5-7-17)13-27-20(30)8-9-26-22-21(16-2-1-3-18(24)12-16)28-19-14-25-10-11-29(19)22/h1-7,10-12,14,26H,8-9,13H2,(H,27,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide has a molecular weight of 423.88 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is sourced from PubChem (CID 53040040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).