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

C24H31N13O — CID 172615725

IUPAC6-[[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
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccn(CCN(C)C)n2)cc1Nc1nccc2c1N(C)[C@H](C)c1nn(C)nc1-2
InChIInChI=1S/C24H31N13O/c1-14-19-20(33-36(6)32-19)15-7-9-26-23(22(15)35(14)5)27-16-13-18(29-30-21(16)24(38)25-2)28-17-8-10-37(31-17)12-11-34(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,25,38)(H2,26,27,28,29,31)/t14-/m1/s1/i2D3
InChIKeyNZMXKBUCJGJVHN-ROXCVRLESA-N
MW520.62 g/mol
LogP1.78
Rot. Bonds9

About 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

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 (PubChem CID 172615725) has the molecular formula C24H31N13O and a molecular weight of 520.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID172615725
Molecular FormulaC24H31N13O
Molecular Weight520.62 g/mol
Exact Mass520.30
IUPAC Name6-[[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
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccn(CCN(C)C)n2)cc1Nc1nccc2c1N(C)[C@H](C)c1nn(C)nc1-2
InChIInChI=1S/C24H31N13O/c1-14-19-20(33-36(6)32-19)15-7-9-26-23(22(15)35(14)5)27-16-13-18(29-30-21(16)24(38)25-2)28-17-8-10-37(31-17)12-11-34(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,25,38)(H2,26,27,28,29,31)/t14-/m1/s1/i2D3
InChIKeyNZMXKBUCJGJVHN-ROXCVRLESA-N
XLogP1.78
TPSA146.84 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.62
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccn(CCN(C)C)n2)cc1Nc1nccc2c1N(C)[C@H](C)c1nn(C)nc1-2.
What is the InChIKey of 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?
The InChIKey is NZMXKBUCJGJVHN-ROXCVRLESA-N. The full InChI is InChI=1S/C24H31N13O/c1-14-19-20(33-36(6)32-19)15-7-9-26-23(22(15)35(14)5)27-16-13-18(29-30-21(16)24(38)25-2)28-17-8-10-37(31-17)12-11-34(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,25,38)(H2,26,27,28,29,31)/t14-/m1/s1/i2D3.
What are the key properties of 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?
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 has a molecular weight of 520.62 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172615725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).