3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one

C24H24F2N10O3S — CID 167425596

IUPAC3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C24H24F2N10O3S/c25-24(26)35-9-6-17(34-35)16-12-29-21(10-19(16)31-18-2-1-7-28-23(18)37)32-20-5-8-27-22(33-20)14-11-30-36(13-14)40(38,39)15-3-4-15/h5-6,8-13,15,18,24H,1-4,7H2,(H,28,37)(H2,27,29,31,32,33)
InChIKeyJDCRLLHSURDGTI-UHFFFAOYSA-N
MW570.59 g/mol
LogP2.77
Rot. Bonds9

About 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one

3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one (PubChem CID 167425596) has the molecular formula C24H24F2N10O3S and a molecular weight of 570.59 g/mol. Its IUPAC name is 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
PubChem CID167425596
Molecular FormulaC24H24F2N10O3S
Molecular Weight570.59 g/mol
Exact Mass570.17
IUPAC Name3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C24H24F2N10O3S/c25-24(26)35-9-6-17(34-35)16-12-29-21(10-19(16)31-18-2-1-7-28-23(18)37)32-20-5-8-27-22(33-20)14-11-30-36(13-14)40(38,39)15-3-4-15/h5-6,8-13,15,18,24H,1-4,7H2,(H,28,37)(H2,27,29,31,32,33)
InChIKeyJDCRLLHSURDGTI-UHFFFAOYSA-N
XLogP2.77
TPSA161.61 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.59
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
The IUPAC name of 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one (CID 167425596) is 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one is O=C1NCCCC1Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1ccn(C(F)F)n1.
What is the InChIKey of 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
The InChIKey is JDCRLLHSURDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N10O3S/c25-24(26)35-9-6-17(34-35)16-12-29-21(10-19(16)31-18-2-1-7-28-23(18)37)32-20-5-8-27-22(33-20)14-11-30-36(13-14)40(38,39)15-3-4-15/h5-6,8-13,15,18,24H,1-4,7H2,(H,28,37)(H2,27,29,31,32,33).
What are the key properties of 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one has a molecular weight of 570.59 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one is sourced from PubChem (CID 167425596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).