2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole

C19H20F2N4O3S — CID 146067120

IUPAC2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2nn(C(C)C)c3c2CN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1
InChIInChI=1S/C19H20F2N4O3S/c1-11(2)25-16-6-7-24(29(26,27)17-5-4-13(20)8-15(17)21)10-14(16)18(23-25)19-22-9-12(3)28-19/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyBVHFZDWFHRSEKS-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.45
Rot. Bonds4

About 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole

2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole (PubChem CID 146067120) has the molecular formula C19H20F2N4O3S and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
PubChem CID146067120
Molecular FormulaC19H20F2N4O3S
Molecular Weight422.46 g/mol
Exact Mass422.12
IUPAC Name2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2nn(C(C)C)c3c2CN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1
InChIInChI=1S/C19H20F2N4O3S/c1-11(2)25-16-6-7-24(29(26,27)17-5-4-13(20)8-15(17)21)10-14(16)18(23-25)19-22-9-12(3)28-19/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyBVHFZDWFHRSEKS-UHFFFAOYSA-N
XLogP3.45
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole (CID 146067120) is 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole is Cc1cnc(-c2nn(C(C)C)c3c2CN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
The InChIKey is BVHFZDWFHRSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3S/c1-11(2)25-16-6-7-24(29(26,27)17-5-4-13(20)8-15(17)21)10-14(16)18(23-25)19-22-9-12(3)28-19/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole has a molecular weight of 422.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 146067120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).