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

C23H28FN5O — CID 44621017

IUPACN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCCC1
InChIInChI=1S/C23H28FN5O/c1-23(2,15-29-11-4-3-5-12-29)14-19(30)26-22-20(24)21(27-28-22)17-8-9-18-16(13-17)7-6-10-25-18/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H2,26,27,28,30)
InChIKeyYOEUYPNCKZQAQD-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.60
Rot. Bonds6

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

N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 44621017) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID44621017
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCCC1
InChIInChI=1S/C23H28FN5O/c1-23(2,15-29-11-4-3-5-12-29)14-19(30)26-22-20(24)21(27-28-22)17-8-9-18-16(13-17)7-6-10-25-18/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H2,26,27,28,30)
InChIKeyYOEUYPNCKZQAQD-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide (CID 44621017) is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide is CC(C)(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCCC1.
What is the InChIKey of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is YOEUYPNCKZQAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-23(2,15-29-11-4-3-5-12-29)14-19(30)26-22-20(24)21(27-28-22)17-8-9-18-16(13-17)7-6-10-25-18/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H2,26,27,28,30).
What are the key properties of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide?
N-(4-fluoro-5-quinolin-6-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-6-yl-1H-pyrazol-3-yl)-3,3-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).