6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide

C22H19FN8O2 — CID 164944178

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OCc1cn(C)nc1-2
InChIInChI=1S/C22H19FN8O2/c1-24-22(32)20-16(8-18(28-29-20)27-17-7-6-13(23)9-25-17)26-15-5-3-4-14-19-12(10-31(2)30-19)11-33-21(14)15/h3-10H,11H2,1-2H3,(H,24,32)(H2,25,26,27,28)
InChIKeyBAVRAZSLAHVOKK-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.15
Rot. Bonds5

About 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide

6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide (PubChem CID 164944178) has the molecular formula C22H19FN8O2 and a molecular weight of 446.45 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide
PubChem CID164944178
Molecular FormulaC22H19FN8O2
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OCc1cn(C)nc1-2
InChIInChI=1S/C22H19FN8O2/c1-24-22(32)20-16(8-18(28-29-20)27-17-7-6-13(23)9-25-17)26-15-5-3-4-14-19-12(10-31(2)30-19)11-33-21(14)15/h3-10H,11H2,1-2H3,(H,24,32)(H2,25,26,27,28)
InChIKeyBAVRAZSLAHVOKK-UHFFFAOYSA-N
XLogP3.15
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide (CID 164944178) is 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OCc1cn(C)nc1-2.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide?
The InChIKey is BAVRAZSLAHVOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O2/c1-24-22(32)20-16(8-18(28-29-20)27-17-7-6-13(23)9-25-17)26-15-5-3-4-14-19-12(10-31(2)30-19)11-33-21(14)15/h3-10H,11H2,1-2H3,(H,24,32)(H2,25,26,27,28).
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide?
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 164944178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).