1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine

C23H18F2N6OS — CID 170553671

IUPAC1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(SC3CC3)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C23H18F2N6OS/c1-13-16-11-27-18(17-12-28-30-8-2-7-26-22(17)30)10-19(16)31(29-13)20-9-15(33-14-3-4-14)5-6-21(20)32-23(24)25/h2,5-12,14,23H,3-4H2,1H3
InChIKeyONEHMUVVWADCAS-UHFFFAOYSA-N
MW464.50 g/mol
LogP5.29
Rot. Bonds6

About 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine

1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (PubChem CID 170553671) has the molecular formula C23H18F2N6OS and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
PubChem CID170553671
Molecular FormulaC23H18F2N6OS
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(SC3CC3)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C23H18F2N6OS/c1-13-16-11-27-18(17-12-28-30-8-2-7-26-22(17)30)10-19(16)31(29-13)20-9-15(33-14-3-4-14)5-6-21(20)32-23(24)25/h2,5-12,14,23H,3-4H2,1H3
InChIKeyONEHMUVVWADCAS-UHFFFAOYSA-N
XLogP5.29
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (CID 170553671) is 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is Cc1nn(-c2cc(SC3CC3)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The InChIKey is ONEHMUVVWADCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6OS/c1-13-16-11-27-18(17-12-28-30-8-2-7-26-22(17)30)10-19(16)31(29-13)20-9-15(33-14-3-4-14)5-6-21(20)32-23(24)25/h2,5-12,14,23H,3-4H2,1H3.
What are the key properties of 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine has a molecular weight of 464.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170553671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).