6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C22H28N10O2 — CID 177044862

IUPAC6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(N[C@@H]2CCOC2)cc1Nc1nc(C)cc2c1N(C)[C@@H](C)c1nn(C)nc1-2
InChIInChI=1S/C22H28N10O2/c1-11-8-14-18-17(29-32(5)30-18)12(2)31(4)20(14)21(24-11)26-15-9-16(25-13-6-7-34-10-13)27-28-19(15)22(33)23-3/h8-9,12-13H,6-7,10H2,1-5H3,(H,23,33)(H2,24,25,26,27)/t12-,13+/m0/s1/i3D3
InChIKeyZLTMLLCMFKWUHV-JJTYDGTBSA-N
MW467.55 g/mol
LogP1.79
Rot. Bonds6

About 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 177044862) has the molecular formula C22H28N10O2 and a molecular weight of 467.55 g/mol. Its IUPAC name is 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID177044862
Molecular FormulaC22H28N10O2
Molecular Weight467.55 g/mol
Exact Mass467.26
IUPAC Name6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(N[C@@H]2CCOC2)cc1Nc1nc(C)cc2c1N(C)[C@@H](C)c1nn(C)nc1-2
InChIInChI=1S/C22H28N10O2/c1-11-8-14-18-17(29-32(5)30-18)12(2)31(4)20(14)21(24-11)26-15-9-16(25-13-6-7-34-10-13)27-28-19(15)22(33)23-3/h8-9,12-13H,6-7,10H2,1-5H3,(H,23,33)(H2,24,25,26,27)/t12-,13+/m0/s1/i3D3
InChIKeyZLTMLLCMFKWUHV-JJTYDGTBSA-N
XLogP1.79
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

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)-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)-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-[[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
N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
CID 175978064
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044527
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-[(2',5'-dimethylspiro[oxetane-3,4'-triazolo[4,5-c]quinoline]-6'-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172615679
6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164902866
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 177044862) is 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(N[C@@H]2CCOC2)cc1Nc1nc(C)cc2c1N(C)[C@@H](C)c1nn(C)nc1-2.
What is the InChIKey of 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is ZLTMLLCMFKWUHV-JJTYDGTBSA-N. The full InChI is InChI=1S/C22H28N10O2/c1-11-8-14-18-17(29-32(5)30-18)12(2)31(4)20(14)21(24-11)26-15-9-16(25-13-6-7-34-10-13)27-28-19(15)22(33)23-3/h8-9,12-13H,6-7,10H2,1-5H3,(H,23,33)(H2,24,25,26,27)/t12-,13+/m0/s1/i3D3.
What are the key properties of 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 177044862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).