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

C21H24FN5O — CID 45107228

IUPACN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCC1
InChIInChI=1S/C21H24FN5O/c1-14(13-27-9-2-3-10-27)11-18(28)24-21-19(22)20(25-26-21)16-6-7-17-15(12-16)5-4-8-23-17/h4-8,12,14H,2-3,9-11,13H2,1H3,(H2,24,25,26,28)
InChIKeyYLAJQWIJZQHLNC-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.82
Rot. Bonds6

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

N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 45107228) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide
PubChem CID45107228
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCC1
InChIInChI=1S/C21H24FN5O/c1-14(13-27-9-2-3-10-27)11-18(28)24-21-19(22)20(25-26-21)16-6-7-17-15(12-16)5-4-8-23-17/h4-8,12,14H,2-3,9-11,13H2,1H3,(H2,24,25,26,28)
InChIKeyYLAJQWIJZQHLNC-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide (CID 45107228) is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide is CC(CC(=O)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F)CN1CCCC1.
What is the InChIKey of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is YLAJQWIJZQHLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-14(13-27-9-2-3-10-27)11-18(28)24-21-19(22)20(25-26-21)16-6-7-17-15(12-16)5-4-8-23-17/h4-8,12,14H,2-3,9-11,13H2,1H3,(H2,24,25,26,28).
What are the key properties of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide?
N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-3-methyl-4-pyrrolidin-1-ylbutanamide has a molecular weight of 381.46 g/mol, XLogP of 3.82, 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-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 45107228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).