[3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone

C22H23ClFN9O — CID 166859179

IUPAC[3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cnn(C)c1-c1ncc(F)c(N2CCN(C(=O)N3N=CCC3c3ncccc3Cl)CC2)n1
InChIInChI=1S/C22H23ClFN9O/c1-14-12-28-30(2)19(14)20-26-13-16(24)21(29-20)31-8-10-32(11-9-31)22(34)33-17(5-7-27-33)18-15(23)4-3-6-25-18/h3-4,6-7,12-13,17H,5,8-11H2,1-2H3
InChIKeyOQALESYRUMPPPA-UHFFFAOYSA-N
MW483.94 g/mol
LogP3.05
Rot. Bonds3

About [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone

[3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 166859179) has the molecular formula C22H23ClFN9O and a molecular weight of 483.94 g/mol. Its IUPAC name is [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID166859179
Molecular FormulaC22H23ClFN9O
Molecular Weight483.94 g/mol
Exact Mass483.17
IUPAC Name[3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cnn(C)c1-c1ncc(F)c(N2CCN(C(=O)N3N=CCC3c3ncccc3Cl)CC2)n1
InChIInChI=1S/C22H23ClFN9O/c1-14-12-28-30(2)19(14)20-26-13-16(24)21(29-20)31-8-10-32(11-9-31)22(34)33-17(5-7-27-33)18-15(23)4-3-6-25-18/h3-4,6-7,12-13,17H,5,8-11H2,1-2H3
InChIKeyOQALESYRUMPPPA-UHFFFAOYSA-N
XLogP3.05
TPSA95.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

3-[(3S)-2-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]-5-fluorobenzonitrile
CID 166859176
[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
1-[5-fluoro-2-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperazin-1-yl]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 166859661
[3-[[2-(4-chloro-1-methylpyrazol-5-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 166857812
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[[6-(1,4-dimethylpyrazol-5-yl)-3-fluoro-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 166857448
[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
3-fluoro-5-[(3S)-2-[4-[5-fluoro-4-(5-methylpyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 166859392
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-fluoro-4-pyridinyl]piperazin-1-yl]methanone
CID 166859306
[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
5-[4-[1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoropyrimidin-2-yl]-1-methylpyrazole-4-carboxamide
CID 170540604
[(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
5-[(3S)-2-[3-[[2-(1,4-dimethylpyrazol-5-yl)-5-fluoro-4-pyridinyl]oxy]azetidine-1-carbonyl]-3,4-dihydropyrazol-3-yl]pyridine-3-carbonitrile
CID 167187959

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone (CID 166859179) is [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone is Cc1cnn(C)c1-c1ncc(F)c(N2CCN(C(=O)N3N=CCC3c3ncccc3Cl)CC2)n1.
What is the InChIKey of [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is OQALESYRUMPPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN9O/c1-14-12-28-30(2)19(14)20-26-13-16(24)21(29-20)31-8-10-32(11-9-31)22(34)33-17(5-7-27-33)18-15(23)4-3-6-25-18/h3-4,6-7,12-13,17H,5,8-11H2,1-2H3.
What are the key properties of [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone?
[3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 483.94 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-[4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 166859179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).