7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

C20H14F4N6O — CID 134326538

IUPAC7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cc2c(c(F)c1-c1ncc3[nH]nc(-c4ccc(OC(F)F)nc4)c3n1)CNCC2
InChIInChI=1S/C20H14F4N6O/c21-12-5-9-3-4-25-7-11(9)16(22)15(12)19-27-8-13-18(28-19)17(30-29-13)10-1-2-14(26-6-10)31-20(23)24/h1-2,5-6,8,20,25H,3-4,7H2,(H,29,30)
InChIKeyYVHZXLSXJPOWBB-UHFFFAOYSA-N
MW430.37 g/mol
LogP3.61
Rot. Bonds4

About 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 134326538) has the molecular formula C20H14F4N6O and a molecular weight of 430.37 g/mol. Its IUPAC name is 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID134326538
Molecular FormulaC20H14F4N6O
Molecular Weight430.37 g/mol
Exact Mass430.12
IUPAC Name7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cc2c(c(F)c1-c1ncc3[nH]nc(-c4ccc(OC(F)F)nc4)c3n1)CNCC2
InChIInChI=1S/C20H14F4N6O/c21-12-5-9-3-4-25-7-11(9)16(22)15(12)19-27-8-13-18(28-19)17(30-29-13)10-1-2-14(26-6-10)31-20(23)24/h1-2,5-6,8,20,25H,3-4,7H2,(H,29,30)
InChIKeyYVHZXLSXJPOWBB-UHFFFAOYSA-N
XLogP3.61
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline 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 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline (CID 134326538) is 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline is Fc1cc2c(c(F)c1-c1ncc3[nH]nc(-c4ccc(OC(F)F)nc4)c3n1)CNCC2.
What is the InChIKey of 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YVHZXLSXJPOWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6O/c21-12-5-9-3-4-25-7-11(9)16(22)15(12)19-27-8-13-18(28-19)17(30-29-13)10-1-2-14(26-6-10)31-20(23)24/h1-2,5-6,8,20,25H,3-4,7H2,(H,29,30).
What are the key properties of 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline?
7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 430.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 134326538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).