6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one

C25H25F3N4O2 — CID 122620461

IUPAC6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one
SMILESCc1ccc(OC(F)F)c(Cn2c3cc(-c4ccc(C(C)(C)N)nc4)c(F)cc3c(=O)n2C)c1
InChIInChI=1S/C25H25F3N4O2/c1-14-5-7-21(34-24(27)28)16(9-14)13-32-20-11-17(19(26)10-18(20)23(33)31(32)4)15-6-8-22(30-12-15)25(2,3)29/h5-12,24H,13,29H2,1-4H3
InChIKeyNHRSOOUIICKKRW-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.69
Rot. Bonds6

About 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one

6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one (PubChem CID 122620461) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one.

Molecular Properties

Compound Name6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one
PubChem CID122620461
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one
SMILESCc1ccc(OC(F)F)c(Cn2c3cc(-c4ccc(C(C)(C)N)nc4)c(F)cc3c(=O)n2C)c1
InChIInChI=1S/C25H25F3N4O2/c1-14-5-7-21(34-24(27)28)16(9-14)13-32-20-11-17(19(26)10-18(20)23(33)31(32)4)15-6-8-22(30-12-15)25(2,3)29/h5-12,24H,13,29H2,1-4H3
InChIKeyNHRSOOUIICKKRW-UHFFFAOYSA-N
XLogP4.69
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one with MolForge

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Related Compounds

6-bromo-1-[[2-(difluoromethoxy)-5-(hydroxymethyl)phenyl]methyl]-5-fluoro-2-methylindazol-3-one
CID 122620899
tert-butyl 4-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 122620329
1-[[2-(difluoromethoxy)-5-(1H-pyrrol-3-ylmethyl)phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one
CID 158746647
methyl 4-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 122620416
methyl (2R)-4-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 122620418
6-[2-(1-benzyl-3-methylpyrrolidin-3-yl)pyrimidin-5-yl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methylindazol-3-one
CID 122620747
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-[5-[(3R)-3-methylpiperazin-1-yl]pyrazin-2-yl]indazol-3-one
CID 122629453
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-[2-[(3R)-3-methyl-4-(oxetane-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]indazol-3-one
CID 122620380
1-[[2-(difluoromethoxy)-5-[(1S,3S)-3-ethynylcyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one
CID 158452171
[3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2-methyl-3-oxoindazol-1-yl]methyl]-4-(difluoromethoxy)phenyl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 122621341
7-[5-[1-[[2-(difluoromethoxy)-5-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 122620574
1-[[2-(difluoromethoxy)-5-[(1S,3R)-3-[1-(methylamino)ethyl]cyclopentyl]phenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one
CID 162597315

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one?
The IUPAC name of 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one (CID 122620461) is 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one.
What is the SMILES notation for 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one?
The canonical SMILES for 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one is Cc1ccc(OC(F)F)c(Cn2c3cc(-c4ccc(C(C)(C)N)nc4)c(F)cc3c(=O)n2C)c1.
What is the InChIKey of 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one?
The InChIKey is NHRSOOUIICKKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-14-5-7-21(34-24(27)28)16(9-14)13-32-20-11-17(19(26)10-18(20)23(33)31(32)4)15-6-8-22(30-12-15)25(2,3)29/h5-12,24H,13,29H2,1-4H3.
What are the key properties of 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one?
6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one has a molecular weight of 470.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one is sourced from PubChem (CID 122620461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).