[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid

C20H21FN4O4 — CID 135374233

IUPAC[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid
SMILESCON(C(=O)O)c1ccc(-c2nc(C3CCOCC3)n3ccnc(C)c23)c(F)c1
InChIInChI=1S/C20H21FN4O4/c1-12-18-17(15-4-3-14(11-16(15)21)25(28-2)20(26)27)23-19(24(18)8-7-22-12)13-5-9-29-10-6-13/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,26,27)
InChIKeyFUXHIHFAVRWYHU-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.78
Rot. Bonds4

About [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid

[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid (PubChem CID 135374233) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid.

Molecular Properties

Compound Name[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid
PubChem CID135374233
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid
SMILESCON(C(=O)O)c1ccc(-c2nc(C3CCOCC3)n3ccnc(C)c23)c(F)c1
InChIInChI=1S/C20H21FN4O4/c1-12-18-17(15-4-3-14(11-16(15)21)25(28-2)20(26)27)23-19(24(18)8-7-22-12)13-5-9-29-10-6-13/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,26,27)
InChIKeyFUXHIHFAVRWYHU-UHFFFAOYSA-N
XLogP3.78
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374227
methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
CID 135374226
methoxy-[4-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclopentyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374344
[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
CID 160789177
1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate
CID 71074993
2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone
CID 158272848
3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 143899191
(Z)-1-[(3R)-3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-isocyano-3-(4-methyloxan-4-yl)prop-2-en-1-one
CID 140930518
2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde
CID 87657013
2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 158668239
1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
CID 160751809
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
CID 162672852

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid?
The IUPAC name of [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid (CID 135374233) is [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid.
What is the SMILES notation for [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid?
The canonical SMILES for [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid is CON(C(=O)O)c1ccc(-c2nc(C3CCOCC3)n3ccnc(C)c23)c(F)c1.
What is the InChIKey of [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid?
The InChIKey is FUXHIHFAVRWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-12-18-17(15-4-3-14(11-16(15)21)25(28-2)20(26)27)23-19(24(18)8-7-22-12)13-5-9-29-10-6-13/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,26,27).
What are the key properties of [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid?
[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid has a molecular weight of 400.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid is sourced from PubChem (CID 135374233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).