N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C18H22F2N4O — CID 71838415

IUPACN-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CN1CCn2cc(C(=O)NCc3cc(F)ccc3F)nc2C1
InChIInChI=1S/C18H22F2N4O/c1-12(2)9-23-5-6-24-10-16(22-17(24)11-23)18(25)21-8-13-7-14(19)3-4-15(13)20/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,21,25)
InChIKeyPTWUEAIOSCPOPK-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.56
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 71838415) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID71838415
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CN1CCn2cc(C(=O)NCc3cc(F)ccc3F)nc2C1
InChIInChI=1S/C18H22F2N4O/c1-12(2)9-23-5-6-24-10-16(22-17(24)11-23)18(25)21-8-13-7-14(19)3-4-15(13)20/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,21,25)
InChIKeyPTWUEAIOSCPOPK-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 71838415) is N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC(C)CN1CCn2cc(C(=O)NCc3cc(F)ccc3F)nc2C1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PTWUEAIOSCPOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-12(2)9-23-5-6-24-10-16(22-17(24)11-23)18(25)21-8-13-7-14(19)3-4-15(13)20/h3-4,7,10,12H,5-6,8-9,11H2,1-2H3,(H,21,25).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 71838415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).