4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H18FN5O — CID 175963350

IUPAC4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1cccc2c1N(C)Cc1cccc(F)c1-2
InChIInChI=1S/C20H18FN5O/c1-22-20(27)18-15(9-10-23-25-18)24-16-8-4-6-13-17-12(5-3-7-14(17)21)11-26(2)19(13)16/h3-10H,11H2,1-2H3,(H,22,27)(H,23,24)/i1D3
InChIKeyBWCWRWCTWATWMF-FIBGUPNXSA-N
MW366.41 g/mol
LogP3.34
Rot. Bonds4

About 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175963350) has the molecular formula C20H18FN5O and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID175963350
Molecular FormulaC20H18FN5O
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Name4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1cccc2c1N(C)Cc1cccc(F)c1-2
InChIInChI=1S/C20H18FN5O/c1-22-20(27)18-15(9-10-23-25-18)24-16-8-4-6-13-17-12(5-3-7-14(17)21)11-26(2)19(13)16/h3-10H,11H2,1-2H3,(H,22,27)(H,23,24)/i1D3
InChIKeyBWCWRWCTWATWMF-FIBGUPNXSA-N
XLogP3.34
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-methyl-5H-pyrimido[5,4-c]quinolin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963342
4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963348
N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
CID 175978064
4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175978022
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902747
4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175976109
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-2,6-dimethylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902722
6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902794
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216
4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902987
6-(cyclopropanecarbonylamino)-4-[(7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-8-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164903003
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968

Frequently Asked Questions

What is the IUPAC name of 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175963350) is 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnccc1Nc1cccc2c1N(C)Cc1cccc(F)c1-2.
What is the InChIKey of 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is BWCWRWCTWATWMF-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-22-20(27)18-15(9-10-23-25-18)24-16-8-4-6-13-17-12(5-3-7-14(17)21)11-26(2)19(13)16/h3-10H,11H2,1-2H3,(H,22,27)(H,23,24)/i1D3.
What are the key properties of 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175963350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).