(8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C17H22N4OS — CID 124910020

IUPAC(8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H]1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccsc1
InChIInChI=1S/C17H22N4OS/c1-12-16-19-15(17(22)18-8-13-2-3-13)10-21(16)6-5-20(12)9-14-4-7-23-11-14/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyAWMPWRVSJUBLMT-LBPRGKRZSA-N
MW330.46 g/mol
LogP2.66
Rot. Bonds5

About (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

(8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 124910020) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID124910020
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H]1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccsc1
InChIInChI=1S/C17H22N4OS/c1-12-16-19-15(17(22)18-8-13-2-3-13)10-21(16)6-5-20(12)9-14-4-7-23-11-14/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyAWMPWRVSJUBLMT-LBPRGKRZSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124910019
N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863880
N,N,8-trimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 133141017
N-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131653432
N-(2-methoxyethyl)-2-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155859412
8-methyl-N,7-bis(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 133142132
8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(pyrimidin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131661103
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155860560
(8S)-7-(furan-3-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809787
N-(2-methoxyethyl)-8-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131662656
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230

Frequently Asked Questions

What is the IUPAC name of (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 124910020) is (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is C[C@H]1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccsc1.
What is the InChIKey of (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is AWMPWRVSJUBLMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-16-19-15(17(22)18-8-13-2-3-13)10-21(16)6-5-20(12)9-14-4-7-23-11-14/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
(8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 124910020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).