1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one

C18H26N6O — CID 70720405

IUPAC1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c2ncnc(N(C)CC3CC(=O)N(C4CCCC4)C3)c12
InChIInChI=1S/C18H26N6O/c1-12-16-17(19-11-20-18(16)23(3)21-12)22(2)9-13-8-15(25)24(10-13)14-6-4-5-7-14/h11,13-14H,4-10H2,1-3H3
InChIKeyDVKMPZRJZOYPAJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.90
Rot. Bonds4

About 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one

1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one (PubChem CID 70720405) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one
PubChem CID70720405
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c2ncnc(N(C)CC3CC(=O)N(C4CCCC4)C3)c12
InChIInChI=1S/C18H26N6O/c1-12-16-17(19-11-20-18(16)23(3)21-12)22(2)9-13-8-15(25)24(10-13)14-6-4-5-7-14/h11,13-14H,4-10H2,1-3H3
InChIKeyDVKMPZRJZOYPAJ-UHFFFAOYSA-N
XLogP1.90
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one (CID 70720405) is 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one is Cc1nn(C)c2ncnc(N(C)CC3CC(=O)N(C4CCCC4)C3)c12.
What is the InChIKey of 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is DVKMPZRJZOYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-16-17(19-11-20-18(16)23(3)21-12)22(2)9-13-8-15(25)24(10-13)14-6-4-5-7-14/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 342.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 70720405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).