3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C14H19F2IN4O — CID 139530410

IUPAC3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(I)c2C1
InChIInChI=1S/C14H19F2IN4O/c1-18-13(22)20-6-7-21-10(8-20)11(17)19-12(21)9-2-4-14(15,16)5-3-9/h9H,2-8H2,1H3,(H,18,22)
InChIKeyBGUJDJGTLGFNFB-UHFFFAOYSA-N
MW424.23 g/mol
LogP2.94
Rot. Bonds1

About 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530410) has the molecular formula C14H19F2IN4O and a molecular weight of 424.23 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530410
Molecular FormulaC14H19F2IN4O
Molecular Weight424.23 g/mol
Exact Mass424.06
IUPAC Name3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(I)c2C1
InChIInChI=1S/C14H19F2IN4O/c1-18-13(22)20-6-7-21-10(8-20)11(17)19-12(21)9-2-4-14(15,16)5-3-9/h9H,2-8H2,1H3,(H,18,22)
InChIKeyBGUJDJGTLGFNFB-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-difluorocyclobutyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530379
3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530394
3-(3,3-difluorocyclobutyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139543510
3-(4,4-difluorocyclohexyl)-N,1-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139556316
1-(5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea
CID 53587985
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
CID 95307993
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]urea
CID 95307994
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]urea
CID 95307995
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]urea
CID 95307996
1-acetyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidine-4-carboxamide
CID 141290533
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 154742684
1-[3-(4,4-difluorocyclohexyl)-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 159284522

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530410) is 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(I)c2C1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is BGUJDJGTLGFNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2IN4O/c1-18-13(22)20-6-7-21-10(8-20)11(17)19-12(21)9-2-4-14(15,16)5-3-9/h9H,2-8H2,1H3,(H,18,22).
What are the key properties of 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 424.23 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).