6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide

C20H22N8O5 — CID 160880208

IUPAC6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc([C@H](C)O)n2)c1OC
InChIInChI=1S/C20H22N8O5/c1-9(29)20-25-16(28-33-20)11-6-7-22-17(15(11)32-3)23-12-8-13(24-18(30)10-4-5-10)26-27-14(12)19(31)21-2/h6-10,29H,4-5H2,1-3H3,(H,21,31)(H2,22,23,24,26,30)/t9-/m0/s1
InChIKeySMXVQANVUVHPBX-VIFPVBQESA-N
MW454.45 g/mol
LogP1.44
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 160880208) has the molecular formula C20H22N8O5 and a molecular weight of 454.45 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID160880208
Molecular FormulaC20H22N8O5
Molecular Weight454.45 g/mol
Exact Mass454.17
IUPAC Name6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc([C@H](C)O)n2)c1OC
InChIInChI=1S/C20H22N8O5/c1-9(29)20-25-16(28-33-20)11-6-7-22-17(15(11)32-3)23-12-8-13(24-18(30)10-4-5-10)26-27-14(12)19(31)21-2/h6-10,29H,4-5H2,1-3H3,(H,21,31)(H2,22,23,24,26,30)/t9-/m0/s1
InChIKeySMXVQANVUVHPBX-VIFPVBQESA-N
XLogP1.44
TPSA177.28 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160507017
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
CID 170318085
4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 160933628
3-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide
CID 166584992
4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide
CID 161230575
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175742141
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
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-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028726
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide
CID 162001262
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585128
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide (CID 160880208) is 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc([C@H](C)O)n2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is SMXVQANVUVHPBX-VIFPVBQESA-N. The full InChI is InChI=1S/C20H22N8O5/c1-9(29)20-25-16(28-33-20)11-6-7-22-17(15(11)32-3)23-12-8-13(24-18(30)10-4-5-10)26-27-14(12)19(31)21-2/h6-10,29H,4-5H2,1-3H3,(H,21,31)(H2,22,23,24,26,30)/t9-/m0/s1.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 160880208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).