6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H25N5O — CID 95713175

IUPAC6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC[C@H]3CCOC3)nc(C3CCCC3)nc21
InChIInChI=1S/C17H25N5O/c1-22-17-14(10-19-22)16(18-8-6-12-7-9-23-11-12)20-15(21-17)13-4-2-3-5-13/h10,12-13H,2-9,11H2,1H3,(H,18,20,21)/t12-/m0/s1
InChIKeyMFRRBWWYVOTMMB-LBPRGKRZSA-N
MW315.42 g/mol
LogP2.86
Rot. Bonds5

About 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95713175) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95713175
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC[C@H]3CCOC3)nc(C3CCCC3)nc21
InChIInChI=1S/C17H25N5O/c1-22-17-14(10-19-22)16(18-8-6-12-7-9-23-11-12)20-15(21-17)13-4-2-3-5-13/h10,12-13H,2-9,11H2,1H3,(H,18,20,21)/t12-/m0/s1
InChIKeyMFRRBWWYVOTMMB-LBPRGKRZSA-N
XLogP2.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899071
6-tert-butyl-1-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95722949
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 70756161
1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
CID 56888522
(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 95729990
6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70706737
6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70759098

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95713175) is 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCC[C@H]3CCOC3)nc(C3CCCC3)nc21.
What is the InChIKey of 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MFRRBWWYVOTMMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O/c1-22-17-14(10-19-22)16(18-8-6-12-7-9-23-11-12)20-15(21-17)13-4-2-3-5-13/h10,12-13H,2-9,11H2,1H3,(H,18,20,21)/t12-/m0/s1.
What are the key properties of 6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 2.86, 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-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95713175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).