1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H18N6 — CID 24905193

IUPAC1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2C1CCCC1
InChIInChI=1S/C18H18N6/c19-17-15-16(12-5-6-14-11(9-12)7-8-20-14)23-24(13-3-1-2-4-13)18(15)22-10-21-17/h5-10,13,20H,1-4H2,(H2,19,21,22)
InChIKeyMRCFTWAYZAHAFA-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.67
Rot. Bonds2

About 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905193) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905193
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2C1CCCC1
InChIInChI=1S/C18H18N6/c19-17-15-16(12-5-6-14-11(9-12)7-8-20-14)23-24(13-3-1-2-4-13)18(15)22-10-21-17/h5-10,13,20H,1-4H2,(H2,19,21,22)
InChIKeyMRCFTWAYZAHAFA-UHFFFAOYSA-N
XLogP3.67
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905193) is 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MRCFTWAYZAHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c19-17-15-16(12-5-6-14-11(9-12)7-8-20-14)23-24(13-3-1-2-4-13)18(15)22-10-21-17/h5-10,13,20H,1-4H2,(H2,19,21,22).
What are the key properties of 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).