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

C21H17FN8O2 — CID 164944374

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide
SMILESCn1cc2c(n1)-c1cccc(Nc3cc(Nc4ccc(F)cn4)nnc3C(N)=O)c1OC2
InChIInChI=1S/C21H17FN8O2/c1-30-9-11-10-32-20-13(18(11)29-30)3-2-4-14(20)25-15-7-17(27-28-19(15)21(23)31)26-16-6-5-12(22)8-24-16/h2-9H,10H2,1H3,(H2,23,31)(H2,24,25,26,27)
InChIKeyASRKODMFQPJTQS-UHFFFAOYSA-N
MW432.42 g/mol
LogP2.89
Rot. Bonds5

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

6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide (PubChem CID 164944374) has the molecular formula C21H17FN8O2 and a molecular weight of 432.42 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide
PubChem CID164944374
Molecular FormulaC21H17FN8O2
Molecular Weight432.42 g/mol
Exact Mass432.15
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide
SMILESCn1cc2c(n1)-c1cccc(Nc3cc(Nc4ccc(F)cn4)nnc3C(N)=O)c1OC2
InChIInChI=1S/C21H17FN8O2/c1-30-9-11-10-32-20-13(18(11)29-30)3-2-4-14(20)25-15-7-17(27-28-19(15)21(23)31)26-16-6-5-12(22)8-24-16/h2-9H,10H2,1H3,(H2,23,31)(H2,24,25,26,27)
InChIKeyASRKODMFQPJTQS-UHFFFAOYSA-N
XLogP2.89
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.89
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]-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]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide (CID 164944374) is 6-[(5-fluoro-2-pyridinyl)amino]-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]-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]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide is Cn1cc2c(n1)-c1cccc(Nc3cc(Nc4ccc(F)cn4)nnc3C(N)=O)c1OC2.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide?
The InChIKey is ASRKODMFQPJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN8O2/c1-30-9-11-10-32-20-13(18(11)29-30)3-2-4-14(20)25-15-7-17(27-28-19(15)21(23)31)26-16-6-5-12(22)8-24-16/h2-9H,10H2,1H3,(H2,23,31)(H2,24,25,26,27).
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide?
6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide has a molecular weight of 432.42 g/mol, XLogP of 2.89, 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]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 164944374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).