N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide

C22H26FN5O — CID 45100649

IUPACN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCCC1
InChIInChI=1S/C22H26FN5O/c1-15(14-28-10-3-2-4-11-28)12-19(29)25-22-20(23)21(26-27-22)17-7-8-18-16(13-17)6-5-9-24-18/h5-9,13,15H,2-4,10-12,14H2,1H3,(H2,25,26,27,29)
InChIKeyRGSQTVDXURLROF-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.21
Rot. Bonds6

About N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide

N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide (PubChem CID 45100649) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide
PubChem CID45100649
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCCC1
InChIInChI=1S/C22H26FN5O/c1-15(14-28-10-3-2-4-11-28)12-19(29)25-22-20(23)21(26-27-22)17-7-8-18-16(13-17)6-5-9-24-18/h5-9,13,15H,2-4,10-12,14H2,1H3,(H2,25,26,27,29)
InChIKeyRGSQTVDXURLROF-UHFFFAOYSA-N
XLogP4.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide (CID 45100649) is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide is CC(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCCC1.
What is the InChIKey of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide?
The InChIKey is RGSQTVDXURLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-15(14-28-10-3-2-4-11-28)12-19(29)25-22-20(23)21(26-27-22)17-7-8-18-16(13-17)6-5-9-24-18/h5-9,13,15H,2-4,10-12,14H2,1H3,(H2,25,26,27,29).
What are the key properties of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide?
N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide has a molecular weight of 395.48 g/mol, XLogP of 4.21, 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-6-yl-1H-pyrazol-3-yl)-3-methyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 45100649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).