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

C20H22FN5O — CID 44621068

IUPACN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F
InChIInChI=1S/C20H22FN5O/c21-18-19(15-7-8-16-14(13-15)5-3-9-22-16)24-25-20(18)23-17(27)6-4-12-26-10-1-2-11-26/h3,5,7-9,13H,1-2,4,6,10-12H2,(H2,23,24,25,27)
InChIKeyBLXZRIZZBXBQDL-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.58
Rot. Bonds6

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

N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide (PubChem CID 44621068) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide
PubChem CID44621068
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F
InChIInChI=1S/C20H22FN5O/c21-18-19(15-7-8-16-14(13-15)5-3-9-22-16)24-25-20(18)23-17(27)6-4-12-26-10-1-2-11-26/h3,5,7-9,13H,1-2,4,6,10-12H2,(H2,23,24,25,27)
InChIKeyBLXZRIZZBXBQDL-UHFFFAOYSA-N
XLogP3.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.58
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)-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide (CID 44621068) is N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1n[nH]c(-c2ccc3ncccc3c2)c1F.
What is the InChIKey of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide?
The InChIKey is BLXZRIZZBXBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-18-19(15-7-8-16-14(13-15)5-3-9-22-16)24-25-20(18)23-17(27)6-4-12-26-10-1-2-11-26/h3,5,7-9,13H,1-2,4,6,10-12H2,(H2,23,24,25,27).
What are the key properties of N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide?
N-(4-fluoro-5-quinolin-6-yl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylbutanamide has a molecular weight of 367.43 g/mol, XLogP of 3.58, 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)-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 44621068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).