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

C25H31FN4O4 — CID 86767206

IUPAC8-[4-[(2R)-2-fluoropropoxy]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(OC[C@@H](C)F)CC1
InChIInChI=1S/C25H31FN4O4/c1-15-11-22-20(12-19(15)25(32)29-7-3-18(4-8-29)34-14-16(2)26)23-21(24(31)28-22)13-27-30(23)17-5-9-33-10-6-17/h11-13,16-19H,3-10,14H2,1-2H3/t16-,19?/m1/s1
InChIKeyRVYKRRLDCIRSKR-VTBWFHPJSA-N
MW470.55 g/mol
LogP3.15
Rot. Bonds5

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

8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767206) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is 8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767206
Molecular FormulaC25H31FN4O4
Molecular Weight470.55 g/mol
Exact Mass470.23
IUPAC Name8-[4-[(2R)-2-fluoropropoxy]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(OC[C@@H](C)F)CC1
InChIInChI=1S/C25H31FN4O4/c1-15-11-22-20(12-19(15)25(32)29-7-3-18(4-8-29)34-14-16(2)26)23-21(24(31)28-22)13-27-30(23)17-5-9-33-10-6-17/h11-13,16-19H,3-10,14H2,1-2H3/t16-,19?/m1/s1
InChIKeyRVYKRRLDCIRSKR-VTBWFHPJSA-N
XLogP3.15
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-1-(oxan-4-yl)-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
CID 76468622
8-[4-(ethoxymethyl)piperidine-1-carbonyl]-1-(oxan-4-yl)-7-(trifluoromethyl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 77179965
1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
CID 77386587
8-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767186
8-[4-[(2S)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767187
8-[4-(2,2-difluoro-3-methoxypropyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767194
7-methyl-1-(oxan-4-yl)-8-[4-(4,4,4-trifluorobutyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767195
7-methyl-8-[3-[methyl(3,3,3-trifluoropropyl)amino]azetidine-1-carbonyl]-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767199
1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767201
8-[4-(2,2-difluoro-3-methoxypropyl)piperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767202
7-methyl-1-(oxan-4-yl)-8-[4-[3-(trifluoromethoxy)propyl]piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767204
8-[4-(2,2-difluoropropoxy)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767205

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767206) is 8-[4-[(2R)-2-fluoropropoxy]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-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-[4-[(2R)-2-fluoropropoxy]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(OC[C@@H](C)F)CC1.
What is the InChIKey of 8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is RVYKRRLDCIRSKR-VTBWFHPJSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-15-11-22-20(12-19(15)25(32)29-7-3-18(4-8-29)34-14-16(2)26)23-21(24(31)28-22)13-27-30(23)17-5-9-33-10-6-17/h11-13,16-19H,3-10,14H2,1-2H3/t16-,19?/m1/s1.
What are the key properties of 8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one?
8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 470.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).