6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H23N7O3 — CID 171437618

IUPAC6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cn(C)c2ccn(CC)c(=O)c12
InChIInChI=1S/C20H23N7O3/c1-4-27-8-7-14-16(20(27)30)13(10-26(14)3)22-12-9-15(23-18(28)11-5-6-11)24-25-17(12)19(29)21-2/h7-11H,4-6H2,1-3H3,(H,21,29)(H2,22,23,24,28)/i2D3
InChIKeyWKAHGZNQOFQBCK-BMSJAHLVSA-N
MW412.47 g/mol
LogP1.60
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 171437618) has the molecular formula C20H23N7O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID171437618
Molecular FormulaC20H23N7O3
Molecular Weight412.47 g/mol
Exact Mass412.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cn(C)c2ccn(CC)c(=O)c12
InChIInChI=1S/C20H23N7O3/c1-4-27-8-7-14-16(20(27)30)13(10-26(14)3)22-12-9-15(23-18(28)11-5-6-11)24-25-17(12)19(29)21-2/h7-11H,4-6H2,1-3H3,(H,21,29)(H2,22,23,24,28)/i2D3
InChIKeyWKAHGZNQOFQBCK-BMSJAHLVSA-N
XLogP1.60
TPSA122.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436853
6-chloro-4-[[1-methyl-4-oxo-5-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436807
6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171612375
4-[5-chloro-3-(2-ethyltriazol-4-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172815649
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 75202034
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584963
6-(cyclopropanecarbonylamino)-4-[3-[5-(diethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028701
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
6-(cyclopropanecarbonylamino)-4-[[7-methyl-4-oxo-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437515
6-(cyclopropanecarbonylamino)-4-[3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155535582
4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437434

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 171437618) is 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cn(C)c2ccn(CC)c(=O)c12.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is WKAHGZNQOFQBCK-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-4-27-8-7-14-16(20(27)30)13(10-26(14)3)22-12-9-15(23-18(28)11-5-6-11)24-25-17(12)19(29)21-2/h7-11H,4-6H2,1-3H3,(H,21,29)(H2,22,23,24,28)/i2D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 171437618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).