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

C23H21ClFN5O — CID 53039875

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H21ClFN5O/c1-15-4-2-3-5-17(15)22-23(30-11-10-26-14-20(30)29-22)27-9-8-21(31)28-13-16-6-7-19(25)18(24)12-16/h2-7,10-12,14,27H,8-9,13H2,1H3,(H,28,31)
InChIKeyNSRGDBZEFSNEKJ-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.62
Rot. Bonds7

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

N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (PubChem CID 53039875) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
PubChem CID53039875
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H21ClFN5O/c1-15-4-2-3-5-17(15)22-23(30-11-10-26-14-20(30)29-22)27-9-8-21(31)28-13-16-6-7-19(25)18(24)12-16/h2-7,10-12,14,27H,8-9,13H2,1H3,(H,28,31)
InChIKeyNSRGDBZEFSNEKJ-UHFFFAOYSA-N
XLogP4.62
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (CID 53039875) is N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The InChIKey is NSRGDBZEFSNEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c1-15-4-2-3-5-17(15)22-23(30-11-10-26-14-20(30)29-22)27-9-8-21(31)28-13-16-6-7-19(25)18(24)12-16/h2-7,10-12,14,27H,8-9,13H2,1H3,(H,28,31).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide has a molecular weight of 437.91 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is sourced from PubChem (CID 53039875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).