6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C17H22N4O4S — CID 175770855

IUPAC6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCn1nc(C2=NOCC2)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2
InChIInChI=1S/C17H22N4O4S/c1-20-15-12(14(18-20)13-5-9-25-19-13)4-8-21(16(15)22)10-17(6-7-17)26(23,24)11-2-3-11/h11H,2-10H2,1H3
InChIKeyFFLMYGVICGWMFE-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.65
Rot. Bonds5

About 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 175770855) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID175770855
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCn1nc(C2=NOCC2)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2
InChIInChI=1S/C17H22N4O4S/c1-20-15-12(14(18-20)13-5-9-25-19-13)4-8-21(16(15)22)10-17(6-7-17)26(23,24)11-2-3-11/h11H,2-10H2,1H3
InChIKeyFFLMYGVICGWMFE-UHFFFAOYSA-N
XLogP0.65
TPSA93.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 175770855) is 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is Cn1nc(C2=NOCC2)c2c1C(=O)N(CC1(S(=O)(=O)C3CC3)CC1)CC2.
What is the InChIKey of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is FFLMYGVICGWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-20-15-12(14(18-20)13-5-9-25-19-13)4-8-21(16(15)22)10-17(6-7-17)26(23,24)11-2-3-11/h11H,2-10H2,1H3.
What are the key properties of 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 378.45 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-3-(4,5-dihydro-1,2-oxazol-3-yl)-1-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 175770855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).