N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C22H31N5O — CID 71838371

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CN1CCn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2C1
InChIInChI=1S/C22H31N5O/c1-17(2)13-26-11-12-27-15-20(24-21(27)16-26)22(28)23-8-10-25-9-7-18-5-3-4-6-19(18)14-25/h3-6,15,17H,7-14,16H2,1-2H3,(H,23,28)
InChIKeyUHLAUICYYWEVJW-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 71838371) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID71838371
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)CN1CCn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2C1
InChIInChI=1S/C22H31N5O/c1-17(2)13-26-11-12-27-15-20(24-21(27)16-26)22(28)23-8-10-25-9-7-18-5-3-4-6-19(18)14-25/h3-6,15,17H,7-14,16H2,1-2H3,(H,23,28)
InChIKeyUHLAUICYYWEVJW-UHFFFAOYSA-N
XLogP2.14
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 71838371) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC(C)CN1CCn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UHLAUICYYWEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-17(2)13-26-11-12-27-15-20(24-21(27)16-26)22(28)23-8-10-25-9-7-18-5-3-4-6-19(18)14-25/h3-6,15,17H,7-14,16H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 71838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).