3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine

C17H15F2N7O2 — CID 177378953

IUPAC3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(N)c(-c4cnn(C(F)F)c4)c3n2)cnc1OC
InChIInChI=1S/C17H15F2N7O2/c1-27-12-5-9(6-21-16(12)28-2)11-3-4-25-15(23-11)13(14(20)24-25)10-7-22-26(8-10)17(18)19/h3-8,17H,1-2H3,(H2,20,24)
InChIKeyWBXCWNMTBOZTBG-UHFFFAOYSA-N
MW387.35 g/mol
LogP2.65
Rot. Bonds5

About 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine

3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 177378953) has the molecular formula C17H15F2N7O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID177378953
Molecular FormulaC17H15F2N7O2
Molecular Weight387.35 g/mol
Exact Mass387.13
IUPAC Name3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(N)c(-c4cnn(C(F)F)c4)c3n2)cnc1OC
InChIInChI=1S/C17H15F2N7O2/c1-27-12-5-9(6-21-16(12)28-2)11-3-4-25-15(23-11)13(14(20)24-25)10-7-22-26(8-10)17(18)19/h3-8,17H,1-2H3,(H2,20,24)
InChIKeyWBXCWNMTBOZTBG-UHFFFAOYSA-N
XLogP2.65
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-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-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 177378953) is 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine is COc1cc(-c2ccn3nc(N)c(-c4cnn(C(F)F)c4)c3n2)cnc1OC.
What is the InChIKey of 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is WBXCWNMTBOZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O2/c1-27-12-5-9(6-21-16(12)28-2)11-3-4-25-15(23-11)13(14(20)24-25)10-7-22-26(8-10)17(18)19/h3-8,17H,1-2H3,(H2,20,24).
What are the key properties of 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine?
3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 387.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 177378953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).