2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol

C16H15ClN6O — CID 135859881

IUPAC2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol
SMILESCC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20)
InChIKeyCPCCZGAXIDOCFP-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.50
Rot. Bonds2

About 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol (PubChem CID 135859881) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol.

Molecular Properties

Compound Name2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol
PubChem CID135859881
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol
SMILESCC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20)
InChIKeyCPCCZGAXIDOCFP-UHFFFAOYSA-N
XLogP3.50
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol?
The IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol (CID 135859881) is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol.
What is the SMILES notation for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol?
The canonical SMILES for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol is CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc21.
What is the InChIKey of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol?
The InChIKey is CPCCZGAXIDOCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20).
What are the key properties of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol?
2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol has a molecular weight of 342.79 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol is sourced from PubChem (CID 135859881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).