4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine

C17H16F2N6 — CID 144519989

IUPAC4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2ccn(C)n2)cc1NCc1cc(F)ccc1F
InChIInChI=1S/C17H16F2N6/c1-25-5-4-16(24-25)23-17-7-15(12(8-20)10-22-17)21-9-11-6-13(18)2-3-14(11)19/h2-8,10,20H,9H2,1H3,(H2,21,22,23,24)/b20-8+
InChIKeyMJWJBVQWMNHOOG-DNTJNYDQSA-N
MW342.35 g/mol
LogP3.45
Rot. Bonds6

About 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine

4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine (PubChem CID 144519989) has the molecular formula C17H16F2N6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
PubChem CID144519989
Molecular FormulaC17H16F2N6
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2ccn(C)n2)cc1NCc1cc(F)ccc1F
InChIInChI=1S/C17H16F2N6/c1-25-5-4-16(24-25)23-17-7-15(12(8-20)10-22-17)21-9-11-6-13(18)2-3-14(11)19/h2-8,10,20H,9H2,1H3,(H2,21,22,23,24)/b20-8+
InChIKeyMJWJBVQWMNHOOG-DNTJNYDQSA-N
XLogP3.45
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine
CID 144519964
4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen
CID 144519965
4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine
CID 144519992
4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine
CID 144519987
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122168522
N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122168316
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 80849150
4-bromo-5-[(2,5-difluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114438013

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine (CID 144519989) is 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine is [H]/N=C/c1cnc(Nc2ccn(C)n2)cc1NCc1cc(F)ccc1F.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine?
The InChIKey is MJWJBVQWMNHOOG-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H16F2N6/c1-25-5-4-16(24-25)23-17-7-15(12(8-20)10-22-17)21-9-11-6-13(18)2-3-14(11)19/h2-8,10,20H,9H2,1H3,(H2,21,22,23,24)/b20-8+.
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine?
4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine has a molecular weight of 342.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 144519989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).