N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide

C17H17FIN5O2 — CID 90876061

IUPACN-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide
SMILESO=C(NOCC1CC1)C1=Cn2cncc2CN1Nc1ccc(I)cc1F
InChIInChI=1S/C17H17FIN5O2/c18-14-5-12(19)3-4-15(14)21-24-7-13-6-20-10-23(13)8-16(24)17(25)22-26-9-11-1-2-11/h3-6,8,10-11,21H,1-2,7,9H2,(H,22,25)
InChIKeyFIUQOEGSTHVQPI-UHFFFAOYSA-N
MW469.26 g/mol
LogP2.73
Rot. Bonds6

About N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide

N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide (PubChem CID 90876061) has the molecular formula C17H17FIN5O2 and a molecular weight of 469.26 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide
PubChem CID90876061
Molecular FormulaC17H17FIN5O2
Molecular Weight469.26 g/mol
Exact Mass469.04
IUPAC NameN-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide
SMILESO=C(NOCC1CC1)C1=Cn2cncc2CN1Nc1ccc(I)cc1F
InChIInChI=1S/C17H17FIN5O2/c18-14-5-12(19)3-4-15(14)21-24-7-13-6-20-10-23(13)8-16(24)17(25)22-26-9-11-1-2-11/h3-6,8,10-11,21H,1-2,7,9H2,(H,22,25)
InChIKeyFIUQOEGSTHVQPI-UHFFFAOYSA-N
XLogP2.73
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid
CID 173046149
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
CID 44603204
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrrol-1-ylbenzamide
CID 139878864
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrazol-1-ylbenzamide
CID 139878974
N-(cyclopropylmethoxy)-7-fluoro-6-(2-fluoro-4-iodoanilino)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 141401959
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-5-fluoro-4-pyrrol-1-ylbenzamide
CID 139878765
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
methyl 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoro-5-(4-iodo-2-methylanilino)benzimidazol-1-yl]acetate
CID 11478420
N-(cyclopropylmethoxy)-7-fluoro-3-(3-hydroxypropyl)-6-(4-iodo-2-methylanilino)benzimidazole-5-carboxamide
CID 58781123
N-(cyclopropylmethoxy)-3,4-difluoro-2-(4-iodo-2-methylanilino)-5-(phenylsulfamoyl)benzamide
CID 22707220
3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
CID 143220424

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide (CID 90876061) is N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide is O=C(NOCC1CC1)C1=Cn2cncc2CN1Nc1ccc(I)cc1F.
What is the InChIKey of N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is FIUQOEGSTHVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FIN5O2/c18-14-5-12(19)3-4-15(14)21-24-7-13-6-20-10-23(13)8-16(24)17(25)22-26-9-11-1-2-11/h3-6,8,10-11,21H,1-2,7,9H2,(H,22,25).
What are the key properties of N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide?
N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 469.26 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90876061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).