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

C17H17ClFN5O — CID 53039676

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
SMILESCc1nc2cnccn2c1NCCC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFN5O/c1-11-17(24-7-6-20-10-15(24)23-11)21-5-4-16(25)22-9-12-2-3-13(19)8-14(12)18/h2-3,6-8,10,21H,4-5,9H2,1H3,(H,22,25)
InChIKeyHJEYVPCUCHPJRC-UHFFFAOYSA-N
MW361.81 g/mol
LogP2.95
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide (PubChem CID 53039676) has the molecular formula C17H17ClFN5O and a molecular weight of 361.81 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
PubChem CID53039676
Molecular FormulaC17H17ClFN5O
Molecular Weight361.81 g/mol
Exact Mass361.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
SMILESCc1nc2cnccn2c1NCCC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFN5O/c1-11-17(24-7-6-20-10-15(24)23-11)21-5-4-16(25)22-9-12-2-3-13(19)8-14(12)18/h2-3,6-8,10,21H,4-5,9H2,1H3,(H,22,25)
InChIKeyHJEYVPCUCHPJRC-UHFFFAOYSA-N
XLogP2.95
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide (CID 53039676) is N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide is Cc1nc2cnccn2c1NCCC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
The InChIKey is HJEYVPCUCHPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O/c1-11-17(24-7-6-20-10-15(24)23-11)21-5-4-16(25)22-9-12-2-3-13(19)8-14(12)18/h2-3,6-8,10,21H,4-5,9H2,1H3,(H,22,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide has a molecular weight of 361.81 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide is sourced from PubChem (CID 53039676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).