8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one

C25H30F2N4O4 — CID 86767205

IUPAC8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCC(OCC(C)(F)F)CC1
InChIInChI=1S/C25H30F2N4O4/c1-15-11-21-19(22-20(23(32)29-21)13-28-31(22)16-5-9-34-10-6-16)12-18(15)24(33)30-7-3-17(4-8-30)35-14-25(2,26)27/h11-13,16-18H,3-10,14H2,1-2H3
InChIKeySSLXPOUAFRUPCV-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.45
Rot. Bonds5

About 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one

8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767205) has the molecular formula C25H30F2N4O4 and a molecular weight of 488.54 g/mol. Its IUPAC name is 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767205
Molecular FormulaC25H30F2N4O4
Molecular Weight488.54 g/mol
Exact Mass488.22
IUPAC Name8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCC(OCC(C)(F)F)CC1
InChIInChI=1S/C25H30F2N4O4/c1-15-11-21-19(22-20(23(32)29-21)13-28-31(22)16-5-9-34-10-6-16)12-18(15)24(33)30-7-3-17(4-8-30)35-14-25(2,26)27/h11-13,16-18H,3-10,14H2,1-2H3
InChIKeySSLXPOUAFRUPCV-UHFFFAOYSA-N
XLogP3.45
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767205) is 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is CC1=CC2=NC(=O)c3cnn(C4CCOCC4)c3C2=CC1C(=O)N1CCC(OCC(C)(F)F)CC1.
What is the InChIKey of 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is SSLXPOUAFRUPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O4/c1-15-11-21-19(22-20(23(32)29-21)13-28-31(22)16-5-9-34-10-6-16)12-18(15)24(33)30-7-3-17(4-8-30)35-14-25(2,26)27/h11-13,16-18H,3-10,14H2,1-2H3.
What are the key properties of 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 488.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).