tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate

C16H18N6O2 — CID 86678952

IUPACtert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc3c(N)[nH]nc3n2)cc1
InChIInChI=1S/C16H18N6O2/c1-16(2,3)24-15(23)19-10-6-4-9(5-7-10)11-8-18-12-13(17)21-22-14(12)20-11/h4-8H,1-3H3,(H,19,23)(H3,17,20,21,22)
InChIKeyAFZJILNUVZVLMI-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.95
Rot. Bonds2

About tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate

tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate (PubChem CID 86678952) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate
PubChem CID86678952
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Nametert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc3c(N)[nH]nc3n2)cc1
InChIInChI=1S/C16H18N6O2/c1-16(2,3)24-15(23)19-10-6-4-9(5-7-10)11-8-18-12-13(17)21-22-14(12)20-11/h4-8H,1-3H3,(H,19,23)(H3,17,20,21,22)
InChIKeyAFZJILNUVZVLMI-UHFFFAOYSA-N
XLogP2.95
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate
CID 151046980
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
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tert-butyl N-[4-(2-deuteriopyrimidin-4-yl)phenyl]carbamate
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tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
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5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
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tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]phenyl]carbamate
CID 90391700
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]phenyl]carbamate
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tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
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tert-butyl N-[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]carbamate
CID 135491912
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate (CID 86678952) is tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cnc3c(N)[nH]nc3n2)cc1.
What is the InChIKey of tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate?
The InChIKey is AFZJILNUVZVLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-16(2,3)24-15(23)19-10-6-4-9(5-7-10)11-8-18-12-13(17)21-22-14(12)20-11/h4-8H,1-3H3,(H,19,23)(H3,17,20,21,22).
What are the key properties of tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate?
tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate has a molecular weight of 326.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate is sourced from PubChem (CID 86678952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).