3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C12H9N7 — CID 141364781

IUPAC3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc4cn[nH]c4c3)c12
InChIInChI=1S/C12H9N7/c13-11-9-10(18-19-12(9)15-5-14-11)6-1-2-7-4-16-17-8(7)3-6/h1-5H,(H,16,17)(H3,13,14,15,18,19)
InChIKeyQOYZWYFJDGIGTI-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.48
Rot. Bonds1

About 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141364781) has the molecular formula C12H9N7 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141364781
Molecular FormulaC12H9N7
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc4cn[nH]c4c3)c12
InChIInChI=1S/C12H9N7/c13-11-9-10(18-19-12(9)15-5-14-11)6-1-2-7-4-16-17-8(7)3-6/h1-5H,(H,16,17)(H3,13,14,15,18,19)
InChIKeyQOYZWYFJDGIGTI-UHFFFAOYSA-N
XLogP1.48
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-indazol-6-yl)pyrimidin-4-amine
CID 127263726
3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53234528
3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123666078
3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269174
3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381066
[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
CID 123607458
3-(3,5-difluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 66580326
hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride
CID 69058745
3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 119069322
3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70974901
3-(1-benzylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123589966
3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381068

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 141364781) is 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(-c3ccc4cn[nH]c4c3)c12.
What is the InChIKey of 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QOYZWYFJDGIGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7/c13-11-9-10(18-19-12(9)15-5-14-11)6-1-2-7-4-16-17-8(7)3-6/h1-5H,(H,16,17)(H3,13,14,15,18,19).
What are the key properties of 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 251.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141364781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).