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

C22H22F3N5O2 — CID 134516002

IUPACN-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=NN(CC(F)(F)F)C1=O
InChIInChI=1S/C22H22F3N5O2/c1-21(2)9-18(28-30(19(21)31)13-22(23,24)25)14-3-5-17(6-4-14)27-20(32)29-11-15-7-8-26-10-16(15)12-29/h3-8,10H,9,11-13H2,1-2H3,(H,27,32)
InChIKeyVHHDSFNRJGTWOA-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.15
Rot. Bonds3

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

N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 134516002) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID134516002
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC NameN-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=NN(CC(F)(F)F)C1=O
InChIInChI=1S/C22H22F3N5O2/c1-21(2)9-18(28-30(19(21)31)13-22(23,24)25)14-3-5-17(6-4-14)27-20(32)29-11-15-7-8-26-10-16(15)12-29/h3-8,10H,9,11-13H2,1-2H3,(H,27,32)
InChIKeyVHHDSFNRJGTWOA-UHFFFAOYSA-N
XLogP4.15
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

tert-butyl N-[3-[3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]propyl]carbamate
CID 134515926
N-[4-(1,5,5-trimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 134515896
tert-butyl N-[3-[3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-5-methyl-6-oxo-5-propyl-4H-pyridazin-1-yl]propyl]carbamate
CID 134515925
N-[4-[1-(3-hydroxypropyl)-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134516186
N-[4-[1-[2-(dimethylamino)ethyl]-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134497868
N-[4-[(4S)-4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134515647
methyl 4-[[3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-4-methyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoate
CID 134501521
N-[4-[(4S)-1-cyclopropyl-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 134498040
2-amino-N-[4-(1-cyclopropyl-5,5-dimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 134515613
tert-butyl N-[6-[3-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-6-oxo-5-quinolin-7-yl-4,5-dihydropyridazin-1-yl]hexyl]carbamate
CID 139379584
N-[4-[(4R)-4-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 134515674
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289

Frequently Asked Questions

What is the IUPAC name of N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 134516002) is N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CC1(C)CC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)=NN(CC(F)(F)F)C1=O.
What is the InChIKey of N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is VHHDSFNRJGTWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-21(2)9-18(28-30(19(21)31)13-22(23,24)25)14-3-5-17(6-4-14)27-20(32)29-11-15-7-8-26-10-16(15)12-29/h3-8,10H,9,11-13H2,1-2H3,(H,27,32).
What are the key properties of N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5,5-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)-4H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 134516002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).