[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate

C16H18N6O2 — CID 151046980

IUPAC[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(-c2cnc3c(N)[nH]nc3n2)cc1)OC(N)=O
InChIInChI=1S/C16H18N6O2/c1-16(2,24-15(18)23)7-9-3-5-10(6-4-9)11-8-19-12-13(17)21-22-14(12)20-11/h3-6,8H,7H2,1-2H3,(H2,18,23)(H3,17,20,21,22)
InChIKeyMDHLKLNMOLNVLL-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.02
Rot. Bonds4

About [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate

[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 151046980) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID151046980
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(-c2cnc3c(N)[nH]nc3n2)cc1)OC(N)=O
InChIInChI=1S/C16H18N6O2/c1-16(2,24-15(18)23)7-9-3-5-10(6-4-9)11-8-19-12-13(17)21-22-14(12)20-11/h3-6,8H,7H2,1-2H3,(H2,18,23)(H3,17,20,21,22)
InChIKeyMDHLKLNMOLNVLL-UHFFFAOYSA-N
XLogP2.02
TPSA132.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate
CID 86678952
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
[2-methyl-1-(4-prop-2-ynylphenyl)propan-2-yl] carbamate
CID 150441455
[1-[4-(3-bromopropoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 175277508
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
CID 71538112
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524
[1-[4-[(2-bromoacetyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
CID 151464602
[1-(2-fluoro-4-iodo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151106232
[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151731421
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 150728794
[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
CID 151804979

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate (CID 151046980) is [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(-c2cnc3c(N)[nH]nc3n2)cc1)OC(N)=O.
What is the InChIKey of [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is MDHLKLNMOLNVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-16(2,24-15(18)23)7-9-3-5-10(6-4-9)11-8-19-12-13(17)21-22-14(12)20-11/h3-6,8H,7H2,1-2H3,(H2,18,23)(H3,17,20,21,22).
What are the key properties of [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 326.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151046980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).