2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide

C33H27FN6O2S — CID 171685178

IUPAC2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide
SMILESO=C(Cc1cc2cccnc2cc1F)Nc1ccc(C2CCN(C(=O)c3cnn4c(-c5cccs5)ccnc34)CC2)cc1
InChIInChI=1S/C33H27FN6O2S/c34-27-19-28-23(3-1-12-35-28)17-24(27)18-31(41)38-25-7-5-21(6-8-25)22-10-14-39(15-11-22)33(42)26-20-37-40-29(9-13-36-32(26)40)30-4-2-16-43-30/h1-9,12-13,16-17,19-20,22H,10-11,14-15,18H2,(H,38,41)
InChIKeyCULSDPQXXCTDAO-UHFFFAOYSA-N
MW590.68 g/mol
LogP6.35
Rot. Bonds6

About 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide

2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide (PubChem CID 171685178) has the molecular formula C33H27FN6O2S and a molecular weight of 590.68 g/mol. Its IUPAC name is 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide
PubChem CID171685178
Molecular FormulaC33H27FN6O2S
Molecular Weight590.68 g/mol
Exact Mass590.19
IUPAC Name2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide
SMILESO=C(Cc1cc2cccnc2cc1F)Nc1ccc(C2CCN(C(=O)c3cnn4c(-c5cccs5)ccnc34)CC2)cc1
InChIInChI=1S/C33H27FN6O2S/c34-27-19-28-23(3-1-12-35-28)17-24(27)18-31(41)38-25-7-5-21(6-8-25)22-10-14-39(15-11-22)33(42)26-20-37-40-29(9-13-36-32(26)40)30-4-2-16-43-30/h1-9,12-13,16-17,19-20,22H,10-11,14-15,18H2,(H,38,41)
InChIKeyCULSDPQXXCTDAO-UHFFFAOYSA-N
XLogP6.35
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1402347
3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1H-quinazoline-2,4-dione
CID 10973768
2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 11669309
1-isopropyl-N-(pyridin-2-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 36931909
N-[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
CID 42629482
1-[2-Fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-propan-2-ylurea
CID 42629483
N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}benzamide
CID 44390126
N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}cyclohexanecarboxamide
CID 44390217
N-isobutyl-3-[3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 44590533
N-Butyl-3-[3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 44590560
N-Cyclopentyl-3-[3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 44590561
N-isoPropyl-3-[3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 44590562

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide (CID 171685178) is 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide is O=C(Cc1cc2cccnc2cc1F)Nc1ccc(C2CCN(C(=O)c3cnn4c(-c5cccs5)ccnc34)CC2)cc1.
What is the InChIKey of 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide?
The InChIKey is CULSDPQXXCTDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN6O2S/c34-27-19-28-23(3-1-12-35-28)17-24(27)18-31(41)38-25-7-5-21(6-8-25)22-10-14-39(15-11-22)33(42)26-20-37-40-29(9-13-36-32(26)40)30-4-2-16-43-30/h1-9,12-13,16-17,19-20,22H,10-11,14-15,18H2,(H,38,41).
What are the key properties of 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide?
2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide has a molecular weight of 590.68 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 171685178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).