N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide

C23H28FN5O — CID 44621018

IUPACN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F)CN1CCCCC1
InChIInChI=1S/C23H28FN5O/c1-23(2,15-29-10-6-3-7-11-29)13-19(30)26-22-20(24)21(27-28-22)17-12-16-8-4-5-9-18(16)25-14-17/h4-5,8-9,12,14H,3,6-7,10-11,13,15H2,1-2H3,(H2,26,27,28,30)
InChIKeyLQGUWOVGSQVMEM-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.60
Rot. Bonds6

About N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide

N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 44621018) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID44621018
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC NameN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F)CN1CCCCC1
InChIInChI=1S/C23H28FN5O/c1-23(2,15-29-10-6-3-7-11-29)13-19(30)26-22-20(24)21(27-28-22)17-12-16-8-4-5-9-18(16)25-14-17/h4-5,8-9,12,14H,3,6-7,10-11,13,15H2,1-2H3,(H2,26,27,28,30)
InChIKeyLQGUWOVGSQVMEM-UHFFFAOYSA-N
XLogP4.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
1-[3-(2-fluoro-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044895
1-{4-[(6-Aminoquinolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(3-Methylphenyl)-1h-Pyrazol-5-Yl]urea
CID 44462686
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 9945436
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11653701
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 11653702
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074
N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 44621189
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
N-(8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)acetamide
CID 118660815

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide (CID 44621018) is N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide is CC(C)(CC(=O)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F)CN1CCCCC1.
What is the InChIKey of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is LQGUWOVGSQVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-23(2,15-29-10-6-3-7-11-29)13-19(30)26-22-20(24)21(27-28-22)17-12-16-8-4-5-9-18(16)25-14-17/h4-5,8-9,12,14H,3,6-7,10-11,13,15H2,1-2H3,(H2,26,27,28,30).
What are the key properties of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide has a molecular weight of 409.51 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).