2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine

C20H23FN4S — CID 31074939

IUPAC2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1Cn1ccc(-c2ccc(CN3CCC(F)CC3)s2)n1
InChIInChI=1S/C20H23FN4S/c1-15-3-2-9-22-19(15)14-25-12-8-18(23-25)20-5-4-17(26-20)13-24-10-6-16(21)7-11-24/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3
InChIKeyUVWNOAMVCORIEH-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.30
Rot. Bonds5

About 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine

2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine (PubChem CID 31074939) has the molecular formula C20H23FN4S and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine
PubChem CID31074939
Molecular FormulaC20H23FN4S
Molecular Weight370.50 g/mol
Exact Mass370.16
IUPAC Name2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1Cn1ccc(-c2ccc(CN3CCC(F)CC3)s2)n1
InChIInChI=1S/C20H23FN4S/c1-15-3-2-9-22-19(15)14-25-12-8-18(23-25)20-5-4-17(26-20)13-24-10-6-16(21)7-11-24/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3
InChIKeyUVWNOAMVCORIEH-UHFFFAOYSA-N
XLogP4.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine with MolForge

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Related Compounds

1-Methyl-4-(2-thiophen-3-yl-pyridin-4-yl)-piperazine
CID 25218146
(3R)-3-[4-[5-(6-fluoro-3-pyridinyl)thiophen-2-yl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943698
(3R)-3-[4-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943765
US10377753, Example 130
CID 124175977
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine
CID 16190127
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
3-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522263
1-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46989849
N-[(5-ethylpyridin-2-yl)methyl]-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46990554
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine?
The IUPAC name of 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine (CID 31074939) is 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine.
What is the SMILES notation for 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine?
The canonical SMILES for 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine is Cc1cccnc1Cn1ccc(-c2ccc(CN3CCC(F)CC3)s2)n1.
What is the InChIKey of 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine?
The InChIKey is UVWNOAMVCORIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4S/c1-15-3-2-9-22-19(15)14-25-12-8-18(23-25)20-5-4-17(26-20)13-24-10-6-16(21)7-11-24/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3.
What are the key properties of 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine?
2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine has a molecular weight of 370.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-[(4-fluoropiperidin-1-yl)methyl]thiophen-2-yl]pyrazol-1-yl]methyl]-3-methylpyridine is sourced from PubChem (CID 31074939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).