2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one

C24H28FN5O — CID 18346853

IUPAC2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one
SMILESCN1CCN(c2c(-c3ccncc3)c(C(=O)C(C)(C)c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C24H28FN5O/c1-24(2,18-5-7-19(25)8-6-18)22(31)21-20(17-9-11-26-12-10-17)23(29(4)27-21)30-15-13-28(3)14-16-30/h5-12H,13-16H2,1-4H3
InChIKeyWVZUKEMVLGHDGE-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one

2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one (PubChem CID 18346853) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one
PubChem CID18346853
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one
SMILESCN1CCN(c2c(-c3ccncc3)c(C(=O)C(C)(C)c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C24H28FN5O/c1-24(2,18-5-7-19(25)8-6-18)22(31)21-20(17-9-11-26-12-10-17)23(29(4)27-21)30-15-13-28(3)14-16-30/h5-12H,13-16H2,1-4H3
InChIKeyWVZUKEMVLGHDGE-UHFFFAOYSA-N
XLogP3.53
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
3-[4-(1-Benzyl-3-tert-butylpyrazole-5-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 44526797
1-[3-(4-Fluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrol-2-yl]ethanone
CID 44419800
1-[3-(4-Fluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one
CID 44419801
1-[5-(4-Acetylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]ethanone
CID 44419815
1-[3-(4-Fluorophenyl)-1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrrol-2-yl]ethanone
CID 44419816
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 57389723
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700268
3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 53482334
3-amino-N-[5-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482337
(R)-3-amino-N-(5-(3-(aminomethyl)piperidin-1-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2-fluorophenyl)picolinamide
CID 53482486
N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 58464776

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one (CID 18346853) is 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one is CN1CCN(c2c(-c3ccncc3)c(C(=O)C(C)(C)c3ccc(F)cc3)nn2C)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one?
The InChIKey is WVZUKEMVLGHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-24(2,18-5-7-19(25)8-6-18)22(31)21-20(17-9-11-26-12-10-17)23(29(4)27-21)30-15-13-28(3)14-16-30/h5-12H,13-16H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one?
2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one has a molecular weight of 421.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-[1-methyl-5-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrazol-3-yl]propan-1-one is sourced from PubChem (CID 18346853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).