6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide

C23H26N8O5 — CID 166585048

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1nc(CN2CCOCC2)no1
InChIInChI=1S/C23H26N8O5/c1-34-20-14(23-27-18(30-36-23)12-31-7-9-35-10-8-31)3-2-4-15(20)25-16-11-17(26-22(33)13-5-6-13)28-29-19(16)21(24)32/h2-4,11,13H,5-10,12H2,1H3,(H2,24,32)(H2,25,26,28,33)
InChIKeyYFZUTNQIOWYGHF-UHFFFAOYSA-N
MW494.51 g/mol
LogP1.56
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide (PubChem CID 166585048) has the molecular formula C23H26N8O5 and a molecular weight of 494.51 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide
PubChem CID166585048
Molecular FormulaC23H26N8O5
Molecular Weight494.51 g/mol
Exact Mass494.20
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1nc(CN2CCOCC2)no1
InChIInChI=1S/C23H26N8O5/c1-34-20-14(23-27-18(30-36-23)12-31-7-9-35-10-8-31)3-2-4-15(20)25-16-11-17(26-22(33)13-5-6-13)28-29-19(16)21(24)32/h2-4,11,13H,5-10,12H2,1H3,(H2,24,32)(H2,25,26,28,33)
InChIKeyYFZUTNQIOWYGHF-UHFFFAOYSA-N
XLogP1.56
TPSA170.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

CID 174036964
CID 174036964
6-(cyclopropanecarbonylamino)-4-[3-[3-[[4-(ethylcarbamoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166585086
CID 174037068
CID 174037068
CID 174037066
CID 174037066
4-[3-[3-[(4-acetyl-2-oxopiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584945
CID 174036876
CID 174036876
CID 174037185
CID 174037185
CID 174037160
CID 174037160
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
6-(cyclopropanecarbonylamino)-4-[3-[5-[(cyclopropylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 166584855
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585128

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide (CID 166585048) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1nc(CN2CCOCC2)no1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide?
The InChIKey is YFZUTNQIOWYGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O5/c1-34-20-14(23-27-18(30-36-23)12-31-7-9-35-10-8-31)3-2-4-15(20)25-16-11-17(26-22(33)13-5-6-13)28-29-19(16)21(24)32/h2-4,11,13H,5-10,12H2,1H3,(H2,24,32)(H2,25,26,28,33).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide has a molecular weight of 494.51 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 166585048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).