N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

C16H18N4O2S — CID 97384470

IUPACN-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cnc2n1CCN(C(=O)c1ccsc1)C2)C1CC1
InChIInChI=1S/C16H18N4O2S/c21-15(11-1-2-11)18-8-13-7-17-14-9-19(4-5-20(13)14)16(22)12-3-6-23-10-12/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,18,21)
InChIKeyPOUSWBPYUFRVPQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.63
Rot. Bonds4

About N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 97384470) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID97384470
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cnc2n1CCN(C(=O)c1ccsc1)C2)C1CC1
InChIInChI=1S/C16H18N4O2S/c21-15(11-1-2-11)18-8-13-7-17-14-9-19(4-5-20(13)14)16(22)12-3-6-23-10-12/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,18,21)
InChIKeyPOUSWBPYUFRVPQ-UHFFFAOYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (CID 97384470) is N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cnc2n1CCN(C(=O)c1ccsc1)C2)C1CC1.
What is the InChIKey of N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is POUSWBPYUFRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-15(11-1-2-11)18-8-13-7-17-14-9-19(4-5-20(13)14)16(22)12-3-6-23-10-12/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,18,21).
What are the key properties of N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 97384470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).