[4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone

C19H21FN10OS — CID 168824020

IUPAC[4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cnc(C2CC=NN2C(=O)N2CCN(c3ncc(F)c(-c4ncnn4C)n3)CC2)s1
InChIInChI=1S/C19H21FN10OS/c1-12-9-21-17(32-12)14-3-4-24-30(14)19(31)29-7-5-28(6-8-29)18-22-10-13(20)15(26-18)16-23-11-25-27(16)2/h4,9-11,14H,3,5-8H2,1-2H3
InChIKeyQURJJUDACFEBKO-UHFFFAOYSA-N
MW456.51 g/mol
LogP1.85
Rot. Bonds3

About [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone

[4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 168824020) has the molecular formula C19H21FN10OS and a molecular weight of 456.51 g/mol. Its IUPAC name is [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID168824020
Molecular FormulaC19H21FN10OS
Molecular Weight456.51 g/mol
Exact Mass456.16
IUPAC Name[4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1cnc(C2CC=NN2C(=O)N2CCN(c3ncc(F)c(-c4ncnn4C)n3)CC2)s1
InChIInChI=1S/C19H21FN10OS/c1-12-9-21-17(32-12)14-3-4-24-30(14)19(31)29-7-5-28(6-8-29)18-22-10-13(20)15(26-18)16-23-11-25-27(16)2/h4,9-11,14H,3,5-8H2,1-2H3
InChIKeyQURJJUDACFEBKO-UHFFFAOYSA-N
XLogP1.85
TPSA108.53 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone with MolForge

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Related Compounds

[4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluoropyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 163815836
3-[(3S)-2-[4-[4-(2-ethyl-1,2,4-triazol-3-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 166859408
[4-[5-fluoro-4-[5-(hydroxymethyl)-2-methyl-1,2,4-triazol-3-yl]pyrimidin-2-yl]piperazin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 167435840
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-[4-(1-ethylpyrazol-4-yl)-5-fluoropyrimidin-2-yl]piperazin-1-yl]methanone
CID 166859385
1-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-methylpiperidine-4-carbonyl chloride
CID 170782988
3-fluoro-5-[(3S)-2-[4-[5-fluoro-4-[5-(fluoromethyl)-2-methyl-1,2,4-triazol-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 163486155
[3-[[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 167187523
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-[5-fluoro-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 166859807
[(3S)-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-3,4-dihydropyrazol-2-yl]-[4-[4-(3,5-dimethyltriazol-4-yl)-5-fluoropyrimidin-2-yl]piperazin-1-yl]methanone
CID 166859788
[4-[5-fluoro-4-(5-iodo-2H-triazol-4-yl)pyrimidin-2-yl]piperazin-1-yl]-[(3S)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 168862204
azetidin-1-yl-[2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]methanone
CID 166860427
[2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]-piperidin-1-ylmethanone
CID 166860965

Frequently Asked Questions

What is the IUPAC name of [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone (CID 168824020) is [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone is Cc1cnc(C2CC=NN2C(=O)N2CCN(c3ncc(F)c(-c4ncnn4C)n3)CC2)s1.
What is the InChIKey of [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is QURJJUDACFEBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN10OS/c1-12-9-21-17(32-12)14-3-4-24-30(14)19(31)29-7-5-28(6-8-29)18-22-10-13(20)15(26-18)16-23-11-25-27(16)2/h4,9-11,14H,3,5-8H2,1-2H3.
What are the key properties of [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
[4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 456.51 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazin-1-yl]-[3-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 168824020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).