[6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid

C20H22FN5O5 — CID 88542048

IUPAC[6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(C2(C)Cn3c(C=O)cnc3C(NC(=O)O)=N2)c1
InChIInChI=1S/C20H22FN5O5/c1-19(2,3)31-18(30)23-11-5-6-14(21)13(7-11)20(4)10-26-12(9-27)8-22-16(26)15(25-20)24-17(28)29/h5-9H,10H2,1-4H3,(H,23,30)(H,24,25)(H,28,29)
InChIKeyMEXGICQCSSUUPX-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.12
Rot. Bonds3

About [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid

[6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid (PubChem CID 88542048) has the molecular formula C20H22FN5O5 and a molecular weight of 431.42 g/mol. Its IUPAC name is [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid.

Molecular Properties

Compound Name[6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
PubChem CID88542048
Molecular FormulaC20H22FN5O5
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name[6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(C2(C)Cn3c(C=O)cnc3C(NC(=O)O)=N2)c1
InChIInChI=1S/C20H22FN5O5/c1-19(2,3)31-18(30)23-11-5-6-14(21)13(7-11)20(4)10-26-12(9-27)8-22-16(26)15(25-20)24-17(28)29/h5-9H,10H2,1-4H3,(H,23,30)(H,24,25)(H,28,29)
InChIKeyMEXGICQCSSUUPX-UHFFFAOYSA-N
XLogP3.12
TPSA134.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(6R)-2,3-dichloro-6-[5-[(5-chloropyridine-2-carbonyl)amino]-2-fluorophenyl]-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
CID 86699184
tert-butyl 2-[4-fluoro-3-[3-iodo-6-methyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-5H-imidazo[1,2-a]pyrazin-6-yl]phenyl]acetate
CID 146816732
tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
CID 86699182
[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
CID 67981031
tert-butyl 2-[3-[2-chloro-6-methyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]acetate
CID 152940939
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
CID 130848962
tert-butyl N-[3-[(2R,3S,5R)-3,5-difluoro-2,5-dimethyl-6-sulfanylpiperidin-2-yl]-4-fluorophenyl]carbamate
CID 141487451
[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
CID 67984598
tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
CID 167726379
tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate
CID 178197079

Frequently Asked Questions

What is the IUPAC name of [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
The IUPAC name of [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid (CID 88542048) is [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid.
What is the SMILES notation for [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
The canonical SMILES for [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid is CC(C)(C)OC(=O)Nc1ccc(F)c(C2(C)Cn3c(C=O)cnc3C(NC(=O)O)=N2)c1.
What is the InChIKey of [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
The InChIKey is MEXGICQCSSUUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O5/c1-19(2,3)31-18(30)23-11-5-6-14(21)13(7-11)20(4)10-26-12(9-27)8-22-16(26)15(25-20)24-17(28)29/h5-9H,10H2,1-4H3,(H,23,30)(H,24,25)(H,28,29).
What are the key properties of [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid?
[6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid has a molecular weight of 431.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid is sourced from PubChem (CID 88542048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).