4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

C21H18FN9O2 — CID 158922092

IUPAC4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C21H18FN9O2/c1-23-21(32)17-14(9-16(30-31-17)29-15-5-3-4-7-24-15)28-20-18(33-2)13(6-8-25-20)19-26-10-12(22)11-27-19/h3-11H,1-2H3,(H,23,32)(H2,24,25,28,29,30)/i1D3
InChIKeyJHYMZJKRDFVXDT-FIBGUPNXSA-N
MW450.45 g/mol
LogP2.72
Rot. Bonds8

About 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 158922092) has the molecular formula C21H18FN9O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID158922092
Molecular FormulaC21H18FN9O2
Molecular Weight450.45 g/mol
Exact Mass450.18
IUPAC Name4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C21H18FN9O2/c1-23-21(32)17-14(9-16(30-31-17)29-15-5-3-4-7-24-15)28-20-18(33-2)13(6-8-25-20)19-26-10-12(22)11-27-19/h3-11H,1-2H3,(H,23,32)(H2,24,25,28,29,30)/i1D3
InChIKeyJHYMZJKRDFVXDT-FIBGUPNXSA-N
XLogP2.72
TPSA139.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161095047
6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158595445
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-6-[(6-methoxy-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161336203
4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028782
6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160676484
6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161345578
6-[(1-cyclopropylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492823
4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161470901
4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(2,2,2-trideuterioethyl)pyridazine-3-carboxamide
CID 157028716
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159860536
4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138911330
6-[[ethyl(methyl)carbamoyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822304

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 158922092) is 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is JHYMZJKRDFVXDT-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H18FN9O2/c1-23-21(32)17-14(9-16(30-31-17)29-15-5-3-4-7-24-15)28-20-18(33-2)13(6-8-25-20)19-26-10-12(22)11-27-19/h3-11H,1-2H3,(H,23,32)(H2,24,25,28,29,30)/i1D3.
What are the key properties of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 158922092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).