1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H18N6 — CID 24905211

IUPAC1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cnc3ccccc3c1)nn2C1CCCC1
InChIInChI=1S/C19H18N6/c20-18-16-17(13-9-12-5-1-4-8-15(12)21-10-13)24-25(14-6-2-3-7-14)19(16)23-11-22-18/h1,4-5,8-11,14H,2-3,6-7H2,(H2,20,22,23)
InChIKeyFVPBLAKABVRLRX-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.74
Rot. Bonds2

About 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905211) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905211
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cnc3ccccc3c1)nn2C1CCCC1
InChIInChI=1S/C19H18N6/c20-18-16-17(13-9-12-5-1-4-8-15(12)21-10-13)24-25(14-6-2-3-7-14)19(16)23-11-22-18/h1,4-5,8-11,14H,2-3,6-7H2,(H2,20,22,23)
InChIKeyFVPBLAKABVRLRX-UHFFFAOYSA-N
XLogP3.74
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905211) is 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FVPBLAKABVRLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-18-16-17(13-9-12-5-1-4-8-15(12)21-10-13)24-25(14-6-2-3-7-14)19(16)23-11-22-18/h1,4-5,8-11,14H,2-3,6-7H2,(H2,20,22,23).
What are the key properties of 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 330.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).