2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide

C18H18ClFN6O — CID 58497347

IUPAC2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1Cl
InChIInChI=1S/C18H18ClFN6O/c1-10-6-17(26(3)25-10)24-16-8-15(13(19)9-22-16)23-14-7-11(20)4-5-12(14)18(27)21-2/h4-9H,1-3H3,(H,21,27)(H2,22,23,24)
InChIKeyFEZYPIAOJSWDHV-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.76
Rot. Bonds5

About 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide

2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide (PubChem CID 58497347) has the molecular formula C18H18ClFN6O and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
PubChem CID58497347
Molecular FormulaC18H18ClFN6O
Molecular Weight388.83 g/mol
Exact Mass388.12
IUPAC Name2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1Cl
InChIInChI=1S/C18H18ClFN6O/c1-10-6-17(26(3)25-10)24-16-8-15(13(19)9-22-16)23-14-7-11(20)4-5-12(14)18(27)21-2/h4-9H,1-3H3,(H,21,27)(H2,22,23,24)
InChIKeyFEZYPIAOJSWDHV-UHFFFAOYSA-N
XLogP3.76
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide with MolForge

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Related Compounds

2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide
CID 46215451
5-chloro-2-N-(2,5-dimethylpyrazol-3-yl)pyridine-2,4-diamine
CID 141267684
2-[[5-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-fluoro-N-methoxybenzamide
CID 54588991
2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 135163292
aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 160857576
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
CID 66992529
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
4-[(1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 171437161
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
CID 44537931
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide (CID 58497347) is 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide is CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
The InChIKey is FEZYPIAOJSWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O/c1-10-6-17(26(3)25-10)24-16-8-15(13(19)9-22-16)23-14-7-11(20)4-5-12(14)18(27)21-2/h4-9H,1-3H3,(H,21,27)(H2,22,23,24).
What are the key properties of 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide?
2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide has a molecular weight of 388.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 58497347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).