5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline

C18H13ClF2N4O2S — CID 24865609

IUPAC5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)cn1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C18H13ClF2N4O2S/c19-10-3-4-16(22-7-10)28(26,27)25-15-6-14(21)13(20)5-11(15)17-12(8-23-24-17)18(25)9-1-2-9/h3-9,18H,1-2H2,(H,23,24)
InChIKeyUKZNKAMASFMGKD-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.06
Rot. Bonds3

About 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline

5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865609) has the molecular formula C18H13ClF2N4O2S and a molecular weight of 422.84 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865609
Molecular FormulaC18H13ClF2N4O2S
Molecular Weight422.84 g/mol
Exact Mass422.04
IUPAC Name5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(Cl)cn1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C18H13ClF2N4O2S/c19-10-3-4-16(22-7-10)28(26,27)25-15-6-14(21)13(20)5-11(15)17-12(8-23-24-17)18(25)9-1-2-9/h3-9,18H,1-2H2,(H,23,24)
InChIKeyUKZNKAMASFMGKD-UHFFFAOYSA-N
XLogP4.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865609) is 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(Cl)cn1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is UKZNKAMASFMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2S/c19-10-3-4-16(22-7-10)28(26,27)25-15-6-14(21)13(20)5-11(15)17-12(8-23-24-17)18(25)9-1-2-9/h3-9,18H,1-2H2,(H,23,24).
What are the key properties of 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline?
5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 422.84 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)sulfonyl]-4-cyclopropyl-7,8-difluoro-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).