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

C22H25N5O2 — CID 134516159

IUPACN-[4-(4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC1CC(=O)N(C(C)C)N=C1c1ccc(NC(=O)N2Cc3cccnc3C2)cc1
InChIInChI=1S/C22H25N5O2/c1-14(2)27-20(28)11-15(3)21(25-27)16-6-8-18(9-7-16)24-22(29)26-12-17-5-4-10-23-19(17)13-26/h4-10,14-15H,11-13H2,1-3H3,(H,24,29)
InChIKeyXJNPBQIZEVEPMN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.61
Rot. Bonds3

About 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

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 (PubChem CID 134516159) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID134516159
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-(4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC1CC(=O)N(C(C)C)N=C1c1ccc(NC(=O)N2Cc3cccnc3C2)cc1
InChIInChI=1S/C22H25N5O2/c1-14(2)27-20(28)11-15(3)21(25-27)16-6-8-18(9-7-16)24-22(29)26-12-17-5-4-10-23-19(17)13-26/h4-10,14-15H,11-13H2,1-3H3,(H,24,29)
InChIKeyXJNPBQIZEVEPMN-UHFFFAOYSA-N
XLogP3.61
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
N-[4-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 134515911
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-[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-(1,4-dimethyl-6-oxo-4,5-dihydropyridazin-3-yl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 134497963
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
methyl 4-[4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonylamino)phenyl]bicyclo[2.2.2]octane-1-carboxylate
CID 176960802
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-[1-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl]-4-methyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 155585942
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 89183237

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(=O)N(C(C)C)N=C1c1ccc(NC(=O)N2Cc3cccnc3C2)cc1.
What is the InChIKey of 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?
The InChIKey is XJNPBQIZEVEPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(2)27-20(28)11-15(3)21(25-27)16-6-8-18(9-7-16)24-22(29)26-12-17-5-4-10-23-19(17)13-26/h4-10,14-15H,11-13H2,1-3H3,(H,24,29).
What are the key properties of 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?
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 has a molecular weight of 391.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134516159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).