3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide

C25H28F2N6O3 — CID 66997722

IUPAC3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide
SMILESCc1cnc(CNC(=O)C(NC(=O)n2nc(-c3ccc(F)c(F)c3)c3c2CCOC3)C(C)(C)C)cn1
InChIInChI=1S/C25H28F2N6O3/c1-14-10-29-16(11-28-14)12-30-23(34)22(25(2,3)4)31-24(35)33-20-7-8-36-13-17(20)21(32-33)15-5-6-18(26)19(27)9-15/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyXRWXUMQLWDSUIH-UHFFFAOYSA-N
MW498.53 g/mol
LogP3.29
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide

3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide (PubChem CID 66997722) has the molecular formula C25H28F2N6O3 and a molecular weight of 498.53 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide
PubChem CID66997722
Molecular FormulaC25H28F2N6O3
Molecular Weight498.53 g/mol
Exact Mass498.22
IUPAC Name3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide
SMILESCc1cnc(CNC(=O)C(NC(=O)n2nc(-c3ccc(F)c(F)c3)c3c2CCOC3)C(C)(C)C)cn1
InChIInChI=1S/C25H28F2N6O3/c1-14-10-29-16(11-28-14)12-30-23(34)22(25(2,3)4)31-24(35)33-20-7-8-36-13-17(20)21(32-33)15-5-6-18(26)19(27)9-15/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyXRWXUMQLWDSUIH-UHFFFAOYSA-N
XLogP3.29
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide 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-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide (CID 66997722) is 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide is Cc1cnc(CNC(=O)C(NC(=O)n2nc(-c3ccc(F)c(F)c3)c3c2CCOC3)C(C)(C)C)cn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide?
The InChIKey is XRWXUMQLWDSUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O3/c1-14-10-29-16(11-28-14)12-30-23(34)22(25(2,3)4)31-24(35)33-20-7-8-36-13-17(20)21(32-33)15-5-6-18(26)19(27)9-15/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,30,34)(H,31,35).
What are the key properties of 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide?
3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-[(5-methylpyrazin-2-yl)methylamino]-1-oxobutan-2-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-1-carboxamide is sourced from PubChem (CID 66997722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).