N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid

C23H28FN5O3 — CID 67188611

IUPACN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid
SMILESCC(CC(=O)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F)CN1CCCCC1.O=CO
InChIInChI=1S/C22H26FN5O.CH2O2/c1-15(14-28-9-5-2-6-10-28)11-19(29)25-22-20(23)21(26-27-22)17-12-16-7-3-4-8-18(16)24-13-17;2-1-3/h3-4,7-8,12-13,15H,2,5-6,9-11,14H2,1H3,(H2,25,26,27,29);1H,(H,2,3)
InChIKeyOWAOQEVLHNNCEM-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.92
Rot. Bonds6

About N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid

N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid (PubChem CID 67188611) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid.

Molecular Properties

Compound NameN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid
PubChem CID67188611
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC NameN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid
SMILESCC(CC(=O)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F)CN1CCCCC1.O=CO
InChIInChI=1S/C22H26FN5O.CH2O2/c1-15(14-28-9-5-2-6-10-28)11-19(29)25-22-20(23)21(26-27-22)17-12-16-7-3-4-8-18(16)24-13-17;2-1-3/h3-4,7-8,12-13,15H,2,5-6,9-11,14H2,1H3,(H2,25,26,27,29);1H,(H,2,3)
InChIKeyOWAOQEVLHNNCEM-UHFFFAOYSA-N
XLogP3.92
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid with MolForge

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Related Compounds

N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 44621189
N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115145
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 164608820
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 164616994
2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 164619829
cis-N-(8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135344519
1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 46297910
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489291
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 137646601
1-(4-fluoro-2H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 71701395

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid?
The IUPAC name of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid (CID 67188611) is N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid.
What is the SMILES notation for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid?
The canonical SMILES for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid is CC(CC(=O)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F)CN1CCCCC1.O=CO.
What is the InChIKey of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid?
The InChIKey is OWAOQEVLHNNCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O.CH2O2/c1-15(14-28-9-5-2-6-10-28)11-19(29)25-22-20(23)21(26-27-22)17-12-16-7-3-4-8-18(16)24-13-17;2-1-3/h3-4,7-8,12-13,15H,2,5-6,9-11,14H2,1H3,(H2,25,26,27,29);1H,(H,2,3).
What are the key properties of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid?
N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid has a molecular weight of 441.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide;formic acid is sourced from PubChem (CID 67188611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).