2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine

C24H24F2N6O — CID 58269046

IUPAC2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
SMILESC[C@H](Nc1cc(-c2cnn3cccnc23)nc(OCC2CCCC2)n1)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N6O/c1-15(18-8-7-17(25)11-20(18)26)29-22-12-21(19-13-28-32-10-4-9-27-23(19)32)30-24(31-22)33-14-16-5-2-3-6-16/h4,7-13,15-16H,2-3,5-6,14H2,1H3,(H,29,30,31)/t15-/m0/s1
InChIKeyHMDPJRYRRWWKOL-HNNXBMFYSA-N
MW450.49 g/mol
LogP5.21
Rot. Bonds7

About 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine

2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine (PubChem CID 58269046) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
PubChem CID58269046
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
SMILESC[C@H](Nc1cc(-c2cnn3cccnc23)nc(OCC2CCCC2)n1)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N6O/c1-15(18-8-7-17(25)11-20(18)26)29-22-12-21(19-13-28-32-10-4-9-27-23(19)32)30-24(31-22)33-14-16-5-2-3-6-16/h4,7-13,15-16H,2-3,5-6,14H2,1H3,(H,29,30,31)/t15-/m0/s1
InChIKeyHMDPJRYRRWWKOL-HNNXBMFYSA-N
XLogP5.21
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-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 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine (CID 58269046) is 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine is C[C@H](Nc1cc(-c2cnn3cccnc23)nc(OCC2CCCC2)n1)c1ccc(F)cc1F.
What is the InChIKey of 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
The InChIKey is HMDPJRYRRWWKOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-15(18-8-7-17(25)11-20(18)26)29-22-12-21(19-13-28-32-10-4-9-27-23(19)32)30-24(31-22)33-14-16-5-2-3-6-16/h4,7-13,15-16H,2-3,5-6,14H2,1H3,(H,29,30,31)/t15-/m0/s1.
What are the key properties of 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine has a molecular weight of 450.49 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 58269046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).