3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H15ClN6O — CID 137254466

IUPAC3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1[nH]c3ccccc3c1Cl)nn2C1CCOC1
InChIInChI=1S/C17H15ClN6O/c18-13-10-3-1-2-4-11(10)22-15(13)14-12-16(19)20-8-21-17(12)24(23-14)9-5-6-25-7-9/h1-4,8-9,22H,5-7H2,(H2,19,20,21)
InChIKeyGSCXKPIHQQMREX-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.17
Rot. Bonds2

About 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 137254466) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID137254466
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1[nH]c3ccccc3c1Cl)nn2C1CCOC1
InChIInChI=1S/C17H15ClN6O/c18-13-10-3-1-2-4-11(10)22-15(13)14-12-16(19)20-8-21-17(12)24(23-14)9-5-6-25-7-9/h1-4,8-9,22H,5-7H2,(H2,19,20,21)
InChIKeyGSCXKPIHQQMREX-UHFFFAOYSA-N
XLogP3.17
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 137254466) is 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1[nH]c3ccccc3c1Cl)nn2C1CCOC1.
What is the InChIKey of 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GSCXKPIHQQMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c18-13-10-3-1-2-4-11(10)22-15(13)14-12-16(19)20-8-21-17(12)24(23-14)9-5-6-25-7-9/h1-4,8-9,22H,5-7H2,(H2,19,20,21).
What are the key properties of 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 354.80 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-indol-2-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 137254466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).