6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C19H19FN10O2 — CID 172615912

IUPAC6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2F)cc1Nc1nccc2c1N(C)Cc1cnnn1-2
InChIInChI=1S/C19H19FN10O2/c1-21-19(32)15-12(6-14(26-27-15)25-18(31)10-5-11(10)20)24-17-16-13(3-4-22-17)30-9(7-23-28-30)8-29(16)2/h3-4,6-7,10-11H,5,8H2,1-2H3,(H,21,32)(H2,22,24,25,26,31)/t10-,11-/m0/s1/i1D3
InChIKeySQRYIBSZUIHBTI-JRDZZGLNSA-N
MW441.45 g/mol
LogP0.80
Rot. Bonds6

About 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 172615912) has the molecular formula C19H19FN10O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID172615912
Molecular FormulaC19H19FN10O2
Molecular Weight441.45 g/mol
Exact Mass441.19
IUPAC Name6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2F)cc1Nc1nccc2c1N(C)Cc1cnnn1-2
InChIInChI=1S/C19H19FN10O2/c1-21-19(32)15-12(6-14(26-27-15)25-18(31)10-5-11(10)20)24-17-16-13(3-4-22-17)30-9(7-23-28-30)8-29(16)2/h3-4,6-7,10-11H,5,8H2,1-2H3,(H,21,32)(H2,22,24,25,26,31)/t10-,11-/m0/s1/i1D3
InChIKeySQRYIBSZUIHBTI-JRDZZGLNSA-N
XLogP0.80
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)-4-[[(7R)-5,7,8-trimethyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]pyridazine-3-carboxamide
CID 172615953
6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166510214
6-(cyclopropanecarbonylamino)-4-[(3-cyclopropylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166130739
6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
CID 167590940
6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164944175
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(5S)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]pyridazine-3-carboxamide
CID 177044689
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(5R)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]pyridazine-3-carboxamide
CID 177044733
6-(cyclopropanecarbonylamino)-4-[[(4S)-9-cyclopropyl-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044685
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-[[(4S)-2,4,5,9-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044531
6-(cyclopropanecarbonylamino)-4-[[(4R)-1-fluoro-9-methoxy-2,4,5-trimethyl-4H-pyrazolo[3,4-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044875
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902747

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 172615912) is 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2F)cc1Nc1nccc2c1N(C)Cc1cnnn1-2.
What is the InChIKey of 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is SQRYIBSZUIHBTI-JRDZZGLNSA-N. The full InChI is InChI=1S/C19H19FN10O2/c1-21-19(32)15-12(6-14(26-27-15)25-18(31)10-5-11(10)20)24-17-16-13(3-4-22-17)30-9(7-23-28-30)8-29(16)2/h3-4,6-7,10-11H,5,8H2,1-2H3,(H,21,32)(H2,22,24,25,26,31)/t10-,11-/m0/s1/i1D3.
What are the key properties of 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 172615912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).