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

C21H23FN10O2 — CID 172615953

IUPAC6-[[(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
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2F)cc1Nc1nccc2c1N(C)[C@H](C)c1c(C)nnn1-2
InChIInChI=1S/C21H23FN10O2/c1-9-17-10(2)31(4)18-14(32(17)30-27-9)5-6-24-19(18)25-13-8-15(26-20(33)11-7-12(11)22)28-29-16(13)21(34)23-3/h5-6,8,10-12H,7H2,1-4H3,(H,23,34)(H2,24,25,26,28,33)/t10-,11+,12+/m1/s1/i3D3
InChIKeyJCCYHYWCLCMZCZ-YWURKEDBSA-N
MW469.50 g/mol
LogP1.67
Rot. Bonds6

About 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

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 (PubChem CID 172615953) has the molecular formula C21H23FN10O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[(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
PubChem CID172615953
Molecular FormulaC21H23FN10O2
Molecular Weight469.50 g/mol
Exact Mass469.22
IUPAC Name6-[[(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
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2F)cc1Nc1nccc2c1N(C)[C@H](C)c1c(C)nnn1-2
InChIInChI=1S/C21H23FN10O2/c1-9-17-10(2)31(4)18-14(32(17)30-27-9)5-6-24-19(18)25-13-8-15(26-20(33)11-7-12(11)22)28-29-16(13)21(34)23-3/h5-6,8,10-12H,7H2,1-4H3,(H,23,34)(H2,24,25,26,28,33)/t10-,11+,12+/m1/s1/i3D3
InChIKeyJCCYHYWCLCMZCZ-YWURKEDBSA-N
XLogP1.67
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166510214
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-[[(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
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-[(3-cyclopropylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166130739
methyl N-[5-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 166130736
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-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-N-(trideuteriomethyl)-4-[[(4R)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]pyridazine-3-carboxamide
CID 172615725
6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171612375

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2F)cc1Nc1nccc2c1N(C)[C@H](C)c1c(C)nnn1-2.
What is the InChIKey of 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?
The InChIKey is JCCYHYWCLCMZCZ-YWURKEDBSA-N. The full InChI is InChI=1S/C21H23FN10O2/c1-9-17-10(2)31(4)18-14(32(17)30-27-9)5-6-24-19(18)25-13-8-15(26-20(33)11-7-12(11)22)28-29-16(13)21(34)23-3/h5-6,8,10-12H,7H2,1-4H3,(H,23,34)(H2,24,25,26,28,33)/t10-,11+,12+/m1/s1/i3D3.
What are the key properties of 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?
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 has a molecular weight of 469.50 g/mol, XLogP of 1.67, 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]-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 is sourced from PubChem (CID 172615953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).