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

C27H27F2N7O3S — CID 170553675

IUPAC1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(S(=O)(=O)CCN3CCCCC3)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C27H27F2N7O3S/c1-18-20-16-31-22(21-17-32-35-11-5-8-30-26(21)35)15-23(20)36(33-18)24-14-19(6-7-25(24)39-27(28)29)40(37,38)13-12-34-9-3-2-4-10-34/h5-8,11,14-17,27H,2-4,9-10,12-13H2,1H3
InChIKeyNGTOCLHOWGRLMC-UHFFFAOYSA-N
MW567.62 g/mol
LogP4.30
Rot. Bonds8

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

1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (PubChem CID 170553675) has the molecular formula C27H27F2N7O3S and a molecular weight of 567.62 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
PubChem CID170553675
Molecular FormulaC27H27F2N7O3S
Molecular Weight567.62 g/mol
Exact Mass567.19
IUPAC Name1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(S(=O)(=O)CCN3CCCCC3)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C27H27F2N7O3S/c1-18-20-16-31-22(21-17-32-35-11-5-8-30-26(21)35)15-23(20)36(33-18)24-14-19(6-7-25(24)39-27(28)29)40(37,38)13-12-34-9-3-2-4-10-34/h5-8,11,14-17,27H,2-4,9-10,12-13H2,1H3
InChIKeyNGTOCLHOWGRLMC-UHFFFAOYSA-N
XLogP4.30
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.62
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine 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 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (CID 170553675) is 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is Cc1nn(-c2cc(S(=O)(=O)CCN3CCCCC3)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The InChIKey is NGTOCLHOWGRLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N7O3S/c1-18-20-16-31-22(21-17-32-35-11-5-8-30-26(21)35)15-23(20)36(33-18)24-14-19(6-7-25(24)39-27(28)29)40(37,38)13-12-34-9-3-2-4-10-34/h5-8,11,14-17,27H,2-4,9-10,12-13H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine has a molecular weight of 567.62 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-(2-piperidin-1-ylethylsulfonyl)phenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170553675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).