N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C32H28F3N7O3 — CID 139369451

IUPACN-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cccc4c3cnn4C3CCCCO3)c(=O)n(CC(F)(F)F)n2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C32H28F3N7O3/c33-32(34,35)19-41-30(43)25(24-4-3-5-28-26(24)16-37-42(28)29-6-1-2-13-45-29)14-27(39-41)20-7-9-23(10-8-20)38-31(44)40-17-21-11-12-36-15-22(21)18-40/h3-5,7-12,14-16,29H,1-2,6,13,17-19H2,(H,38,44)
InChIKeyVRXBXFMBVIYDEG-UHFFFAOYSA-N
MW615.62 g/mol
LogP6.13
Rot. Bonds5

About N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 139369451) has the molecular formula C32H28F3N7O3 and a molecular weight of 615.62 g/mol. Its IUPAC name is N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID139369451
Molecular FormulaC32H28F3N7O3
Molecular Weight615.62 g/mol
Exact Mass615.22
IUPAC NameN-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cccc4c3cnn4C3CCCCO3)c(=O)n(CC(F)(F)F)n2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C32H28F3N7O3/c33-32(34,35)19-41-30(43)25(24-4-3-5-28-26(24)16-37-42(28)29-6-1-2-13-45-29)14-27(39-41)20-7-9-23(10-8-20)38-31(44)40-17-21-11-12-36-15-22(21)18-40/h3-5,7-12,14-16,29H,1-2,6,13,17-19H2,(H,38,44)
InChIKeyVRXBXFMBVIYDEG-UHFFFAOYSA-N
XLogP6.13
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.62
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[(5R)-6-oxo-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 139369460
(2R,3S,4aR,7aR)-1-(2-fluoro-6-methyl-benzoyl)-N-[1-(3-pyridylmethyl)indazol-5-yl]-2-[4-(tetrahydropyran-4-ylamino)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-3-carboxamide
CID 168875172
N-[4-[1-(4-aminobutyl)-6-oxo-5-quinolin-5-ylpyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 139370359
1-[4-(4-Methylpiperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]urea
CID 24987215
N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[6-(trifluoromethyl)pyridin-3-yl]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 89601866
N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[6-(trifluoromethyl)pyridin-2-yl]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 89601944
N-(2-methoxyethyl)-4-methyl-2-[[1-[4-[5-(trifluoromethyl)pyridin-3-yl]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 89601989
4-methyl-2-[[1-[4-(6-methylpyridin-3-yl)benzoyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 89602034
4-methyl-2-[[1-[4-(5-methylpyridin-2-yl)benzoyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 89602099
3-(3-Fluorophenyl)-1-[4-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 118354927
3-phenyl-1-(4-((5-(1-(tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)-1H-indol-1-yl)methyl)piperidin-1-yl)propan-1-one
CID 118354945
3-(4-Fluorophenyl)-1-[4-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 118354959

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 139369451) is N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(Nc1ccc(-c2cc(-c3cccc4c3cnn4C3CCCCO3)c(=O)n(CC(F)(F)F)n2)cc1)N1Cc2ccncc2C1.
What is the InChIKey of N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is VRXBXFMBVIYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N7O3/c33-32(34,35)19-41-30(43)25(24-4-3-5-28-26(24)16-37-42(28)29-6-1-2-13-45-29)14-27(39-41)20-7-9-23(10-8-20)38-31(44)40-17-21-11-12-36-15-22(21)18-40/h3-5,7-12,14-16,29H,1-2,6,13,17-19H2,(H,38,44).
What are the key properties of N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 615.62 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-(oxan-2-yl)indazol-4-yl]-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 139369451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).