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

C17H18FN7 — CID 144519987

IUPAC4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2cnn(C)c2)cc1NCc1cc(N)cc(F)c1
InChIInChI=1S/C17H18FN7/c1-25-10-15(9-23-25)24-17-5-16(12(6-19)8-22-17)21-7-11-2-13(18)4-14(20)3-11/h2-6,8-10,19H,7,20H2,1H3,(H2,21,22,24)/b19-6+
InChIKeyQCAIVGVDJXXUEN-KPSZGOFPSA-N
MW339.38 g/mol
LogP2.89
Rot. Bonds6

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

4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine (PubChem CID 144519987) has the molecular formula C17H18FN7 and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine
PubChem CID144519987
Molecular FormulaC17H18FN7
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2cnn(C)c2)cc1NCc1cc(N)cc(F)c1
InChIInChI=1S/C17H18FN7/c1-25-10-15(9-23-25)24-17-5-16(12(6-19)8-22-17)21-7-11-2-13(18)4-14(20)3-11/h2-6,8-10,19H,7,20H2,1H3,(H2,21,22,24)/b19-6+
InChIKeyQCAIVGVDJXXUEN-KPSZGOFPSA-N
XLogP2.89
TPSA104.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
ML323
CID 60167849
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
Sutidiazine
CID 92045019
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2k
CID 5329424
2,4-Disubstituted Pyrimidine 5e
CID 5329440
2,4-Disubstituted Pyrimidine 5h
CID 5329443
2-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}ethanamine
CID 118656528
3-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656529

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine?
The IUPAC name of 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine (CID 144519987) is 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine is [H]/N=C/c1cnc(Nc2cnn(C)c2)cc1NCc1cc(N)cc(F)c1.
What is the InChIKey of 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine?
The InChIKey is QCAIVGVDJXXUEN-KPSZGOFPSA-N. The full InChI is InChI=1S/C17H18FN7/c1-25-10-15(9-23-25)24-17-5-16(12(6-19)8-22-17)21-7-11-2-13(18)4-14(20)3-11/h2-6,8-10,19H,7,20H2,1H3,(H2,21,22,24)/b19-6+.
What are the key properties of 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine?
4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine has a molecular weight of 339.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine is sourced from PubChem (CID 144519987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).