N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C22H30N4O2 — CID 167414236

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CCC1Cn2cc(C(=O)NC3COc4ccccc4C3)nc2CN1C
InChIInChI=1S/C22H30N4O2/c1-15(2)8-9-18-11-26-12-19(24-21(26)13-25(18)3)22(27)23-17-10-16-6-4-5-7-20(16)28-14-17/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3,(H,23,27)
InChIKeyIKSGHIJHPHEJDO-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.87
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 167414236) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID167414236
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CCC1Cn2cc(C(=O)NC3COc4ccccc4C3)nc2CN1C
InChIInChI=1S/C22H30N4O2/c1-15(2)8-9-18-11-26-12-19(24-21(26)13-25(18)3)22(27)23-17-10-16-6-4-5-7-20(16)28-14-17/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3,(H,23,27)
InChIKeyIKSGHIJHPHEJDO-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 167414236) is N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC(C)CCC1Cn2cc(C(=O)NC3COc4ccccc4C3)nc2CN1C.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IKSGHIJHPHEJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)8-9-18-11-26-12-19(24-21(26)13-25(18)3)22(27)23-17-10-16-6-4-5-7-20(16)28-14-17/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3,(H,23,27).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-7-methyl-6-(3-methylbutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167414236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).