1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one

C23H26F3N5O2 — CID 77386587

IUPAC1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C23H26F3N5O2/c1-14-11-19-17(20-18(21(32)28-19)13-27-31(20)15-3-2-4-15)12-16(14)22(33)30-9-7-29(8-10-30)6-5-23(24,25)26/h11-13,15-16H,2-10H2,1H3
InChIKeyOXUUJFVQQIBWGR-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one

1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 77386587) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID77386587
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC Name1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC1=CC2=NC(=O)c3cnn(C4CCC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C23H26F3N5O2/c1-14-11-19-17(20-18(21(32)28-19)13-27-31(20)15-3-2-4-15)12-16(14)22(33)30-9-7-29(8-10-30)6-5-23(24,25)26/h11-13,15-16H,2-10H2,1H3
InChIKeyOXUUJFVQQIBWGR-UHFFFAOYSA-N
XLogP3.26
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
8-[4-[(2R)-2-fluoropropoxy]piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767206

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one (CID 77386587) is 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one is CC1=CC2=NC(=O)c3cnn(C4CCC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is OXUUJFVQQIBWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-14-11-19-17(20-18(21(32)28-19)13-27-31(20)15-3-2-4-15)12-16(14)22(33)30-9-7-29(8-10-30)6-5-23(24,25)26/h11-13,15-16H,2-10H2,1H3.
What are the key properties of 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 461.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 77386587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).