2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

C20H22N6O2 — CID 134515719

IUPAC2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NNC1=O
InChIInChI=1S/C20H22N6O2/c1-20(2)9-15(24-25-18(20)27)12-3-6-14(7-4-12)22-19(28)26-10-13-5-8-17(21)23-16(13)11-26/h3-8H,9-11H2,1-2H3,(H2,21,23)(H,22,28)(H,25,27)
InChIKeyMZTONIOPTJFXOX-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.46
Rot. Bonds2

About 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (PubChem CID 134515719) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID134515719
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NNC1=O
InChIInChI=1S/C20H22N6O2/c1-20(2)9-15(24-25-18(20)27)12-3-6-14(7-4-12)22-19(28)26-10-13-5-8-17(21)23-16(13)11-26/h3-8H,9-11H2,1-2H3,(H2,21,23)(H,22,28)(H,25,27)
InChIKeyMZTONIOPTJFXOX-UHFFFAOYSA-N
XLogP2.46
TPSA112.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]acetamide
CID 70459912
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
N-[4-(aminomethyl)phenyl]-3,5-dioxopiperazine-1-carboxamide
CID 66061825
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
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
methyl 4-[4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonylamino)phenyl]bicyclo[2.2.2]octane-1-carboxylate
CID 176960802
N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 89183237
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
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
2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
CID 101148243

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of 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) is 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is CC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NNC1=O.
What is the InChIKey of 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is MZTONIOPTJFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-20(2)9-15(24-25-18(20)27)12-3-6-14(7-4-12)22-19(28)26-10-13-5-8-17(21)23-16(13)11-26/h3-8H,9-11H2,1-2H3,(H2,21,23)(H,22,28)(H,25,27).
What are the key properties of 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(5,5-dimethyl-6-oxo-1,4-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 134515719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).