4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine

C21H20F3N7 — CID 123997725

IUPAC4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
SMILES[H]/N=C(\c1cccc(N2CCNCC2)n1)c1cc(-c2cncc(C(F)(F)F)c2)ncc1N
InChIInChI=1S/C21H20F3N7/c22-21(23,24)14-8-13(10-28-11-14)18-9-15(16(25)12-29-18)20(26)17-2-1-3-19(30-17)31-6-4-27-5-7-31/h1-3,8-12,26-27H,4-7,25H2/b26-20-
InChIKeyLOESPGMVLJDVCU-QOMWVZHYSA-N
MW427.43 g/mol
LogP2.97
Rot. Bonds4

About 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine

4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine (PubChem CID 123997725) has the molecular formula C21H20F3N7 and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
PubChem CID123997725
Molecular FormulaC21H20F3N7
Molecular Weight427.43 g/mol
Exact Mass427.17
IUPAC Name4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
SMILES[H]/N=C(\c1cccc(N2CCNCC2)n1)c1cc(-c2cncc(C(F)(F)F)c2)ncc1N
InChIInChI=1S/C21H20F3N7/c22-21(23,24)14-8-13(10-28-11-14)18-9-15(16(25)12-29-18)20(26)17-2-1-3-19(30-17)31-6-4-27-5-7-31/h1-3,8-12,26-27H,4-7,25H2/b26-20-
InChIKeyLOESPGMVLJDVCU-QOMWVZHYSA-N
XLogP2.97
TPSA103.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine with MolForge

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Related Compounds

4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
CID 144529500
1-[[2-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-3-iminopropylidene]amino]-2-methylpropan-2-ol
CID 123193138
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]methanone
CID 58207392
6-[(2-methylpropan-2-yl)oxy]-4-(6-piperazin-1-ylpyrimidine-4-carboximidoyl)pyridin-3-amine
CID 176963190
4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
CID 123860640
1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 89412710
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253573
2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
CID 83778730
(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
CID 144529562
1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-bromo-2-pyridinyl]azepan-4-amine
CID 123512302

Frequently Asked Questions

What is the IUPAC name of 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
The IUPAC name of 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine (CID 123997725) is 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
The canonical SMILES for 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine is [H]/N=C(\c1cccc(N2CCNCC2)n1)c1cc(-c2cncc(C(F)(F)F)c2)ncc1N.
What is the InChIKey of 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
The InChIKey is LOESPGMVLJDVCU-QOMWVZHYSA-N. The full InChI is InChI=1S/C21H20F3N7/c22-21(23,24)14-8-13(10-28-11-14)18-9-15(16(25)12-29-18)20(26)17-2-1-3-19(30-17)31-6-4-27-5-7-31/h1-3,8-12,26-27H,4-7,25H2/b26-20-.
What are the key properties of 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine has a molecular weight of 427.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 123997725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).