tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate

C24H23F2N5O3 — CID 150628680

IUPACtert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(Nc3cc(-c4c(F)cccc4F)nnc3C(N)=O)ccc21
InChIInChI=1S/C24H23F2N5O3/c1-24(2,3)34-23(33)31-10-9-13-11-14(7-8-19(13)31)28-18-12-17(29-30-21(18)22(27)32)20-15(25)5-4-6-16(20)26/h4-8,11-12H,9-10H2,1-3H3,(H2,27,32)(H,28,29)
InChIKeyIXKNFHRQTQHHGP-UHFFFAOYSA-N
MW467.48 g/mol
LogP4.56
Rot. Bonds4

About tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate

tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate (PubChem CID 150628680) has the molecular formula C24H23F2N5O3 and a molecular weight of 467.48 g/mol. Its IUPAC name is tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate
PubChem CID150628680
Molecular FormulaC24H23F2N5O3
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Nametert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(Nc3cc(-c4c(F)cccc4F)nnc3C(N)=O)ccc21
InChIInChI=1S/C24H23F2N5O3/c1-24(2,3)34-23(33)31-10-9-13-11-14(7-8-19(13)31)28-18-12-17(29-30-21(18)22(27)32)20-15(25)5-4-6-16(20)26/h4-8,11-12H,9-10H2,1-3H3,(H2,27,32)(H,28,29)
InChIKeyIXKNFHRQTQHHGP-UHFFFAOYSA-N
XLogP4.56
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(4-Fluorophenyl)-5-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146597626
[5-[2-(4-Fluorophenyl)ethylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641558
[5-[(4-Fluorophenyl)methylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641564
2-(4-fluoro-3-methylphenyl)-5-N-(4-isocyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 137554114
tert-butyl 1-(4-fluorobenzyl)-7-methyl-3-(m-tolylcarbamoyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 91864705
5-acetyl-8-amino-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3-carboxamide
CID 9969088
(2S)-2-amino-3-(4-fluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide
CID 60046955
(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide
CID 60047023
{2-(4-Fluoro-phenyl)-1-[3-(3-methyl-4-oxo-2,4-dihydro-pyrazolo[4,3-c]quinolin-5-yl)-propylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester
CID 60047208
2,4-difluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
CID 60047290
4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
CID 60047399
Tert-butyl 3-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]piperidine-1-carboxylate
CID 68719686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate (CID 150628680) is tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cc(Nc3cc(-c4c(F)cccc4F)nnc3C(N)=O)ccc21.
What is the InChIKey of tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate?
The InChIKey is IXKNFHRQTQHHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3/c1-24(2,3)34-23(33)31-10-9-13-11-14(7-8-19(13)31)28-18-12-17(29-30-21(18)22(27)32)20-15(25)5-4-6-16(20)26/h4-8,11-12H,9-10H2,1-3H3,(H2,27,32)(H,28,29).
What are the key properties of tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate has a molecular weight of 467.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 150628680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).