3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C24H22N8 — CID 58515204

IUPAC3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cccnc1)nn2Cc1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H22N8/c25-22-20-21(17-7-5-9-26-13-17)30-32(24(20)28-15-27-22)14-18-12-16-6-1-2-8-19(16)29-23(18)31-10-3-4-11-31/h1-2,5-9,12-13,15H,3-4,10-11,14H2,(H2,25,27,28)
InChIKeyYJVJPMNYOLLIPR-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.67
Rot. Bonds4

About 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58515204) has the molecular formula C24H22N8 and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58515204
Molecular FormulaC24H22N8
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cccnc1)nn2Cc1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C24H22N8/c25-22-20-21(17-7-5-9-26-13-17)30-32(24(20)28-15-27-22)14-18-12-16-6-1-2-8-19(16)29-23(18)31-10-3-4-11-31/h1-2,5-9,12-13,15H,3-4,10-11,14H2,(H2,25,27,28)
InChIKeyYJVJPMNYOLLIPR-UHFFFAOYSA-N
XLogP3.67
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 58515204) is 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cccnc1)nn2Cc1cc2ccccc2nc1N1CCCC1.
What is the InChIKey of 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YJVJPMNYOLLIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8/c25-22-20-21(17-7-5-9-26-13-17)30-32(24(20)28-15-27-22)14-18-12-16-6-1-2-8-19(16)29-23(18)31-10-3-4-11-31/h1-2,5-9,12-13,15H,3-4,10-11,14H2,(H2,25,27,28).
What are the key properties of 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 422.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58515204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).