2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide

C18H18ClFN6O — CID 44608074

IUPAC2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cccc1Nc1cc(Nc2cn(C)nc2C)ncc1Cl
InChIInChI=1S/C18H18ClFN6O/c1-10-15(9-26(3)25-10)24-16-7-14(11(19)8-22-16)23-13-6-4-5-12(20)17(13)18(27)21-2/h4-9H,1-3H3,(H,21,27)(H2,22,23,24)
InChIKeyGWVDRINEVVXJAL-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.76
Rot. Bonds5

About 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide

2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide (PubChem CID 44608074) has the molecular formula C18H18ClFN6O and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide
PubChem CID44608074
Molecular FormulaC18H18ClFN6O
Molecular Weight388.83 g/mol
Exact Mass388.12
IUPAC Name2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cccc1Nc1cc(Nc2cn(C)nc2C)ncc1Cl
InChIInChI=1S/C18H18ClFN6O/c1-10-15(9-26(3)25-10)24-16-7-14(11(19)8-22-16)23-13-6-4-5-12(20)17(13)18(27)21-2/h4-9H,1-3H3,(H,21,27)(H2,22,23,24)
InChIKeyGWVDRINEVVXJAL-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide (CID 44608074) is 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide is CNC(=O)c1c(F)cccc1Nc1cc(Nc2cn(C)nc2C)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide?
The InChIKey is GWVDRINEVVXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O/c1-10-15(9-26(3)25-10)24-16-7-14(11(19)8-22-16)23-13-6-4-5-12(20)17(13)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-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide?
2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-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-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 44608074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).