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

C21H24FN5O — CID 44621101

IUPACN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F
InChIInChI=1S/C21H24FN5O/c22-19-20(16-13-15-7-2-3-8-17(15)23-14-16)25-26-21(19)24-18(28)9-6-12-27-10-4-1-5-11-27/h2-3,7-8,13-14H,1,4-6,9-12H2,(H2,24,25,26,28)
InChIKeyCWTORMSSWXGNID-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.97
Rot. Bonds6

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

N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide (PubChem CID 44621101) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
PubChem CID44621101
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F
InChIInChI=1S/C21H24FN5O/c22-19-20(16-13-15-7-2-3-8-17(15)23-14-16)25-26-21(19)24-18(28)9-6-12-27-10-4-1-5-11-27/h2-3,7-8,13-14H,1,4-6,9-12H2,(H2,24,25,26,28)
InChIKeyCWTORMSSWXGNID-UHFFFAOYSA-N
XLogP3.97
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.97
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-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide (CID 44621101) is N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)Nc1n[nH]c(-c2cnc3ccccc3c2)c1F.
What is the InChIKey of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
The InChIKey is CWTORMSSWXGNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-19-20(16-13-15-7-2-3-8-17(15)23-14-16)25-26-21(19)24-18(28)9-6-12-27-10-4-1-5-11-27/h2-3,7-8,13-14H,1,4-6,9-12H2,(H2,24,25,26,28).
What are the key properties of N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide?
N-(4-fluoro-5-quinolin-3-yl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide has a molecular weight of 381.46 g/mol, XLogP of 3.97, 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)-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).