(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C24H24N4O2 — CID 95059258

IUPAC(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C24H24N4O2/c1-15(23(29)26-20-12-7-9-16-8-3-4-10-17(16)20)28-21-13-6-5-11-18(21)19-14-25-27(2)24(30)22(19)28/h3-6,8,10-11,13-15,20H,7,9,12H2,1-2H3,(H,26,29)/t15-,20-/m1/s1
InChIKeyBIFCDPVNCQNZGI-FOIQADDNSA-N
MW400.48 g/mol
LogP3.64
Rot. Bonds3

About (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 95059258) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID95059258
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C24H24N4O2/c1-15(23(29)26-20-12-7-9-16-8-3-4-10-17(16)20)28-21-13-6-5-11-18(21)19-14-25-27(2)24(30)22(19)28/h3-6,8,10-11,13-15,20H,7,9,12H2,1-2H3,(H,26,29)/t15-,20-/m1/s1
InChIKeyBIFCDPVNCQNZGI-FOIQADDNSA-N
XLogP3.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide with MolForge

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Related Compounds

2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanoic acid
CID 6623394
3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
CID 6623617
(2R)-N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059426
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055058
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 11917772
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 16509829
(2S)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-piperidin-1-ylethyl)butanamide
CID 95064518
(2S)-N-[2-(azepan-1-yl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059630
3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055069
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 95059258) is (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)n1c2ccccc2c2cnn(C)c(=O)c21.
What is the InChIKey of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is BIFCDPVNCQNZGI-FOIQADDNSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15(23(29)26-20-12-7-9-16-8-3-4-10-17(16)20)28-21-13-6-5-11-18(21)19-14-25-27(2)24(30)22(19)28/h3-6,8,10-11,13-15,20H,7,9,12H2,1-2H3,(H,26,29)/t15-,20-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 400.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 95059258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).