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

C17H17ClN6O — CID 135911762

IUPAC3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Cl)c2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1
InChIInChI=1S/C17H17ClN6O/c1-8(2)24-17-13(16(19)20-7-21-17)15(23-24)12-5-9-4-10(25-3)6-11(18)14(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21)
InChIKeyHWQLLVBRNAIGKV-UHFFFAOYSA-N
MW356.82 g/mol
LogP3.80
Rot. Bonds3

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

3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 135911762) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID135911762
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Cl)c2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1
InChIInChI=1S/C17H17ClN6O/c1-8(2)24-17-13(16(19)20-7-21-17)15(23-24)12-5-9-4-10(25-3)6-11(18)14(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21)
InChIKeyHWQLLVBRNAIGKV-UHFFFAOYSA-N
XLogP3.80
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

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CID 11153312
N-(2-chloro-4-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 135911762) is 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(Cl)c2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1.
What is the InChIKey of 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HWQLLVBRNAIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-8(2)24-17-13(16(19)20-7-21-17)15(23-24)12-5-9-4-10(25-3)6-11(18)14(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21).
What are the key properties of 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 356.82 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135911762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).