3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C24H27F2N7O — CID 118299340

IUPAC3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cc4F)c3n2)n[nH]1
InChIInChI=1S/C24H27F2N7O/c1-14-10-22(30-29-14)27-21-12-18(13-32-6-8-34-9-7-32)33-24(28-21)23(16(3)31-33)15(2)19-5-4-17(25)11-20(19)26/h4-5,10-12,15H,6-9,13H2,1-3H3,(H2,27,28,29,30)/t15-/m0/s1
InChIKeySHFVSIQQLRPHMN-HNNXBMFYSA-N
MW467.52 g/mol
LogP4.08
Rot. Bonds6

About 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118299340) has the molecular formula C24H27F2N7O and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118299340
Molecular FormulaC24H27F2N7O
Molecular Weight467.52 g/mol
Exact Mass467.22
IUPAC Name3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cc4F)c3n2)n[nH]1
InChIInChI=1S/C24H27F2N7O/c1-14-10-22(30-29-14)27-21-12-18(13-32-6-8-34-9-7-32)33-24(28-21)23(16(3)31-33)15(2)19-5-4-17(25)11-20(19)26/h4-5,10-12,15H,6-9,13H2,1-3H3,(H2,27,28,29,30)/t15-/m0/s1
InChIKeySHFVSIQQLRPHMN-HNNXBMFYSA-N
XLogP4.08
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-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 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 118299340) is 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is Cc1cc(Nc2cc(CN3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cc4F)c3n2)n[nH]1.
What is the InChIKey of 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is SHFVSIQQLRPHMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27F2N7O/c1-14-10-22(30-29-14)27-21-12-18(13-32-6-8-34-9-7-32)33-24(28-21)23(16(3)31-33)15(2)19-5-4-17(25)11-20(19)26/h4-5,10-12,15H,6-9,13H2,1-3H3,(H2,27,28,29,30)/t15-/m0/s1.
What are the key properties of 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 467.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118299340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).