6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine

C19H24N6 — CID 95872463

IUPAC6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1cccnc1
InChIInChI=1S/C19H24N6/c1-3-16(14-9-6-10-20-11-14)22-18-15-12-21-25(2)19(15)24-17(23-18)13-7-4-5-8-13/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,22,23,24)/t16-/m0/s1
InChIKeyRPCCWMRESNXKKT-INIZCTEOSA-N
MW336.44 g/mol
LogP3.98
Rot. Bonds5

About 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95872463) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95872463
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1cccnc1
InChIInChI=1S/C19H24N6/c1-3-16(14-9-6-10-20-11-14)22-18-15-12-21-25(2)19(15)24-17(23-18)13-7-4-5-8-13/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,22,23,24)/t16-/m0/s1
InChIKeyRPCCWMRESNXKKT-INIZCTEOSA-N
XLogP3.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95872463) is 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1cccnc1.
What is the InChIKey of 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RPCCWMRESNXKKT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6/c1-3-16(14-9-6-10-20-11-14)22-18-15-12-21-25(2)19(15)24-17(23-18)13-7-4-5-8-13/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,22,23,24)/t16-/m0/s1.
What are the key properties of 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95872463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).