N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C19H19F2N3O3 — CID 24794296

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NC2CCCc3c2cnn3-c2ccc(F)cc2F)OCCO1
InChIInChI=1S/C19H19F2N3O3/c1-11-18(27-8-7-26-11)19(25)23-15-3-2-4-16-13(15)10-22-24(16)17-6-5-12(20)9-14(17)21/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,23,25)
InChIKeyJASKGCLCCSBLCZ-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.92
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24794296) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24794296
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NC2CCCc3c2cnn3-c2ccc(F)cc2F)OCCO1
InChIInChI=1S/C19H19F2N3O3/c1-11-18(27-8-7-26-11)19(25)23-15-3-2-4-16-13(15)10-22-24(16)17-6-5-12(20)9-14(17)21/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,23,25)
InChIKeyJASKGCLCCSBLCZ-UHFFFAOYSA-N
XLogP2.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24794296) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)NC2CCCc3c2cnn3-c2ccc(F)cc2F)OCCO1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is JASKGCLCCSBLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-11-18(27-8-7-26-11)19(25)23-15-3-2-4-16-13(15)10-22-24(16)17-6-5-12(20)9-14(17)21/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,23,25).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24794296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).