2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine

C23H24F3N9O2S — CID 167425621

IUPAC2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine
SMILESCC(CCF)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C23H24F3N9O2S/c1-14(4-7-24)30-19-10-21(28-12-17(19)18-6-9-34(33-18)23(25)26)31-20-5-8-27-22(32-20)15-11-29-35(13-15)38(36,37)16-2-3-16/h5-6,8-14,16,23H,2-4,7H2,1H3,(H2,27,28,30,31,32)
InChIKeyAJAHNWXJEVKEOT-UHFFFAOYSA-N
MW547.57 g/mol
LogP4.24
Rot. Bonds11

About 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine

2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine (PubChem CID 167425621) has the molecular formula C23H24F3N9O2S and a molecular weight of 547.57 g/mol. Its IUPAC name is 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine
PubChem CID167425621
Molecular FormulaC23H24F3N9O2S
Molecular Weight547.57 g/mol
Exact Mass547.17
IUPAC Name2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine
SMILESCC(CCF)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C23H24F3N9O2S/c1-14(4-7-24)30-19-10-21(28-12-17(19)18-6-9-34(33-18)23(25)26)31-20-5-8-27-22(32-20)15-11-29-35(13-15)38(36,37)16-2-3-16/h5-6,8-14,16,23H,2-4,7H2,1H3,(H2,27,28,30,31,32)
InChIKeyAJAHNWXJEVKEOT-UHFFFAOYSA-N
XLogP4.24
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.57
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine with MolForge

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Related Compounds

(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720614
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-(1-methylsulfonylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 168285534
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 57343972
4-[[[2-[[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 145900919
4-[[[5-Cyclopropyl-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 145900920
US11472791, Example 13
CID 155688685
US11472791, Example 1
CID 155688704
US10450297, Example 314
CID 57584555
1-(6-(1,4-Diazepan-1-yl)pyridin-2-yl)-6-(1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine
CID 72715453
US10058550, Example 791.0
CID 122701751
N-(2-(1-(Cyclopropylsulfonyl)-1H-pyrazol-4-yl)pyrimidin-4-yl)-1-isopropyl-2-methyl-1H-imidazo[4,5-c]pyridin-6-amine
CID 90183442
Egfr-IN-2
CID 121595975

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine (CID 167425621) is 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine is CC(CCF)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1ccn(C(F)F)n1.
What is the InChIKey of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine?
The InChIKey is AJAHNWXJEVKEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N9O2S/c1-14(4-7-24)30-19-10-21(28-12-17(19)18-6-9-34(33-18)23(25)26)31-20-5-8-27-22(32-20)15-11-29-35(13-15)38(36,37)16-2-3-16/h5-6,8-14,16,23H,2-4,7H2,1H3,(H2,27,28,30,31,32).
What are the key properties of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine?
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine has a molecular weight of 547.57 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorobutan-2-yl)pyridine-2,4-diamine is sourced from PubChem (CID 167425621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).