N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide

C24H27FN4O3 — CID 45181405

IUPACN-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(CCC(=O)NCc4ccccc4F)C3)n[nH]2)o1
InChIInChI=1S/C24H27FN4O3/c1-16-8-10-22(32-16)20-13-21(28-27-20)24(31)29-12-4-5-17(15-29)9-11-23(30)26-14-18-6-2-3-7-19(18)25/h2-3,6-8,10,13,17H,4-5,9,11-12,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeySFQZKVIVGAXMSL-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.07
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide (PubChem CID 45181405) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide
PubChem CID45181405
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(CCC(=O)NCc4ccccc4F)C3)n[nH]2)o1
InChIInChI=1S/C24H27FN4O3/c1-16-8-10-22(32-16)20-13-21(28-27-20)24(31)29-12-4-5-17(15-29)9-11-23(30)26-14-18-6-2-3-7-19(18)25/h2-3,6-8,10,13,17H,4-5,9,11-12,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeySFQZKVIVGAXMSL-UHFFFAOYSA-N
XLogP4.07
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide (CID 45181405) is N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide is Cc1ccc(-c2cc(C(=O)N3CCCC(CCC(=O)NCc4ccccc4F)C3)n[nH]2)o1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide?
The InChIKey is SFQZKVIVGAXMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-16-8-10-22(32-16)20-13-21(28-27-20)24(31)29-12-4-5-17(15-29)9-11-23(30)26-14-18-6-2-3-7-19(18)25/h2-3,6-8,10,13,17H,4-5,9,11-12,14-15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide has a molecular weight of 438.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45181405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).