[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone

C23H22F3N5O — CID 71455663

IUPAC[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4ccc(C(F)(F)F)nc4)c3)cc2)CC1
InChIInChI=1S/C23H22F3N5O/c1-30-8-10-31(11-9-30)22(32)16-4-2-15(3-5-16)18-12-19(21(27)29-14-18)17-6-7-20(28-13-17)23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,29)
InChIKeyKTVZQGPZGOQBMV-UHFFFAOYSA-N
MW441.46 g/mol
LogP3.80
Rot. Bonds3

About [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 71455663) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID71455663
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4ccc(C(F)(F)F)nc4)c3)cc2)CC1
InChIInChI=1S/C23H22F3N5O/c1-30-8-10-31(11-9-30)22(32)16-4-2-15(3-5-16)18-12-19(21(27)29-14-18)17-6-7-20(28-13-17)23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,29)
InChIKeyKTVZQGPZGOQBMV-UHFFFAOYSA-N
XLogP3.80
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71711914
[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 10004959
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
(4-cyclobutyl-1,4-diazepan-1-yl)-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanone
CID 11304221
1-[2-amino-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]-2-(4-hydroxycyclohexyl)ethanone
CID 158445960
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 134025795
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 71455663) is [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4ccc(C(F)(F)F)nc4)c3)cc2)CC1.
What is the InChIKey of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KTVZQGPZGOQBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c1-30-8-10-31(11-9-30)22(32)16-4-2-15(3-5-16)18-12-19(21(27)29-14-18)17-6-7-20(28-13-17)23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,29).
What are the key properties of [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 441.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71455663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).