[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H23F4N7O — CID 144720460

IUPAC[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(C)n1ccc(NC2=C(NN)[C@H](C)N(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)n1
InChIInChI=1S/C19H23F4N7O/c1-10(2)30-9-6-14(28-30)26-13-5-8-29(11(3)16(13)27-24)18(31)12-4-7-25-17(15(12)20)19(21,22)23/h4,6-7,9-11,27H,5,8,24H2,1-3H3,(H,26,28)/t11-/m0/s1
InChIKeyHYNALHLPFSWPTF-NSHDSACASA-N
MW441.43 g/mol
LogP3.04
Rot. Bonds5

About [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 144720460) has the molecular formula C19H23F4N7O and a molecular weight of 441.43 g/mol. Its IUPAC name is [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID144720460
Molecular FormulaC19H23F4N7O
Molecular Weight441.43 g/mol
Exact Mass441.19
IUPAC Name[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC(C)n1ccc(NC2=C(NN)[C@H](C)N(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)n1
InChIInChI=1S/C19H23F4N7O/c1-10(2)30-9-6-14(28-30)26-13-5-8-29(11(3)16(13)27-24)18(31)12-4-7-25-17(15(12)20)19(21,22)23/h4,6-7,9-11,27H,5,8,24H2,1-3H3,(H,26,28)/t11-/m0/s1
InChIKeyHYNALHLPFSWPTF-NSHDSACASA-N
XLogP3.04
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
CID 129152980
[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 118875618
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171409025
[5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone
CID 129153235
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388424
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-2-methylbutan-1-one
CID 142587135
3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 105382475
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111
(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 105386742
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]propan-1-one
CID 161227421
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 105386764

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 144720460) is [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone is CC(C)n1ccc(NC2=C(NN)[C@H](C)N(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)n1.
What is the InChIKey of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is HYNALHLPFSWPTF-NSHDSACASA-N. The full InChI is InChI=1S/C19H23F4N7O/c1-10(2)30-9-6-14(28-30)26-13-5-8-29(11(3)16(13)27-24)18(31)12-4-7-25-17(15(12)20)19(21,22)23/h4,6-7,9-11,27H,5,8,24H2,1-3H3,(H,26,28)/t11-/m0/s1.
What are the key properties of [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 441.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 144720460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).