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

C23H26N6O2 — CID 134515613

IUPAC2-amino-N-[4-(1-cyclopropyl-5,5-dimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NN(C2CC2)C1=O
InChIInChI=1S/C23H26N6O2/c1-23(2)11-18(27-29(21(23)30)17-8-9-17)14-3-6-16(7-4-14)25-22(31)28-12-15-5-10-20(24)26-19(15)13-28/h3-7,10,17H,8-9,11-13H2,1-2H3,(H2,24,26)(H,25,31)
InChIKeySDUHFHRYJSGPIW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.34
Rot. Bonds3

About 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

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 (PubChem CID 134515613) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-N-[4-(1-cyclopropyl-5,5-dimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID134515613
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-amino-N-[4-(1-cyclopropyl-5,5-dimethyl-6-oxo-4H-pyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NN(C2CC2)C1=O
InChIInChI=1S/C23H26N6O2/c1-23(2)11-18(27-29(21(23)30)17-8-9-17)14-3-6-16(7-4-14)25-22(31)28-12-15-5-10-20(24)26-19(15)13-28/h3-7,10,17H,8-9,11-13H2,1-2H3,(H2,24,26)(H,25,31)
InChIKeySDUHFHRYJSGPIW-UHFFFAOYSA-N
XLogP3.34
TPSA103.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 134515719
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
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]-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]propyl]carbamate
CID 134515926
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
N-[4-(4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 134516159
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
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-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
2-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 72879342
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NN(C2CC2)C1=O.
What is the InChIKey of 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?
The InChIKey is SDUHFHRYJSGPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-23(2)11-18(27-29(21(23)30)17-8-9-17)14-3-6-16(7-4-14)25-22(31)28-12-15-5-10-20(24)26-19(15)13-28/h3-7,10,17H,8-9,11-13H2,1-2H3,(H2,24,26)(H,25,31).
What are the key properties of 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?
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 has a molecular weight of 418.50 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134515613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).