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

C22H26N10O2 — CID 177044531

IUPAC6-(cyclopropanecarbonylamino)-4-[[(4S)-2,4,5,9-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(NC(=O)C2CC2)cc1Nc1ncc(C)c2c1N(C)[C@@H](C)c1nn(C)nc1-2
InChIInChI=1S/C22H26N10O2/c1-10-9-24-20(19-15(10)18-16(11(2)31(19)4)29-32(5)30-18)25-13-8-14(26-21(33)12-6-7-12)27-28-17(13)22(34)23-3/h8-9,11-12H,6-7H2,1-5H3,(H,23,34)(H2,24,25,26,27,33)/t11-/m0/s1/i3D3
InChIKeyRYTUOHQPSXACMY-NQNNWHPSSA-N
MW465.54 g/mol
LogP1.94
Rot. Bonds6

About 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

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 (PubChem CID 177044531) has the molecular formula C22H26N10O2 and a molecular weight of 465.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[[(4S)-2,4,5,9-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID177044531
Molecular FormulaC22H26N10O2
Molecular Weight465.54 g/mol
Exact Mass465.24
IUPAC Name6-(cyclopropanecarbonylamino)-4-[[(4S)-2,4,5,9-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(NC(=O)C2CC2)cc1Nc1ncc(C)c2c1N(C)[C@@H](C)c1nn(C)nc1-2
InChIInChI=1S/C22H26N10O2/c1-10-9-24-20(19-15(10)18-16(11(2)31(19)4)29-32(5)30-18)25-13-8-14(26-21(33)12-6-7-12)27-28-17(13)22(34)23-3/h8-9,11-12H,6-7H2,1-5H3,(H,23,34)(H2,24,25,26,27,33)/t11-/m0/s1/i3D3
InChIKeyRYTUOHQPSXACMY-NQNNWHPSSA-N
XLogP1.94
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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)-N-(trideuteriomethyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]pyridine-3-carboxamide
CID 177044825
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)-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)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
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
N-(5,6,10-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide
CID 177044686
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-[[5-(2-hydroxypropan-2-yl)-3-methylsulfonyl-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171456823
N-[4-[[(4R)-2,4,5,9-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044780
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044553

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncc(C)c2c1N(C)[C@@H](C)c1nn(C)nc1-2.
What is the InChIKey of 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?
The InChIKey is RYTUOHQPSXACMY-NQNNWHPSSA-N. The full InChI is InChI=1S/C22H26N10O2/c1-10-9-24-20(19-15(10)18-16(11(2)31(19)4)29-32(5)30-18)25-13-8-14(26-21(33)12-6-7-12)27-28-17(13)22(34)23-3/h8-9,11-12H,6-7H2,1-5H3,(H,23,34)(H2,24,25,26,27,33)/t11-/m0/s1/i3D3.
What are the key properties of 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?
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 has a molecular weight of 465.54 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177044531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).