2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol

C11H14ClF2N5O — CID 107479147

IUPAC2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCn1ncc2c(Cl)nc(CN(CCO)CC(F)F)nc21
InChIInChI=1S/C11H14ClF2N5O/c1-18-11-7(4-15-18)10(12)16-9(17-11)6-19(2-3-20)5-8(13)14/h4,8,20H,2-3,5-6H2,1H3
InChIKeyDHAMYGDJOMCXJJ-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.08
Rot. Bonds6

About 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107479147) has the molecular formula C11H14ClF2N5O and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107479147
Molecular FormulaC11H14ClF2N5O
Molecular Weight305.72 g/mol
Exact Mass305.09
IUPAC Name2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCn1ncc2c(Cl)nc(CN(CCO)CC(F)F)nc21
InChIInChI=1S/C11H14ClF2N5O/c1-18-11-7(4-15-18)10(12)16-9(17-11)6-19(2-3-20)5-8(13)14/h4,8,20H,2-3,5-6H2,1H3
InChIKeyDHAMYGDJOMCXJJ-UHFFFAOYSA-N
XLogP1.08
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol 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-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107479147) is 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol is Cn1ncc2c(Cl)nc(CN(CCO)CC(F)F)nc21.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is DHAMYGDJOMCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N5O/c1-18-11-7(4-15-18)10(12)16-9(17-11)6-19(2-3-20)5-8(13)14/h4,8,20H,2-3,5-6H2,1H3.
What are the key properties of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 305.72 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107479147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).