6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide

C54H61ClN18O8S3 — CID 159228401

IUPAC6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(NC(=O)C2CC23CC3)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(NC(=O)C2CC23CC3)cc1Nc1ncccc1SC.NC(=O)C1CC12CC2
InChIInChI=1S/C18H20N6O4S.C18H20N6O2S.C12H12ClN5OS.C6H9NO/c1-19-17(26)14-11(21-15-12(29(2,27)28)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-19-17(26)14-11(21-15-12(27-2)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;7-5(8)4-3-6(4)1-2-6/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);3-6H,1-2H3,(H,14,19)(H,15,16,17);4H,1-3H2,(H2,7,8)
InChIKeyKSORZWLPGUVPOO-UHFFFAOYSA-N
MW1221.85 g/mol
LogP6.17
Rot. Bonds17

About 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide

6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide (PubChem CID 159228401) has the molecular formula C54H61ClN18O8S3 and a molecular weight of 1221.85 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide
PubChem CID159228401
Molecular FormulaC54H61ClN18O8S3
Molecular Weight1221.85 g/mol
Exact Mass1220.38
IUPAC Name6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(NC(=O)C2CC23CC3)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(NC(=O)C2CC23CC3)cc1Nc1ncccc1SC.NC(=O)C1CC12CC2
InChIInChI=1S/C18H20N6O4S.C18H20N6O2S.C12H12ClN5OS.C6H9NO/c1-19-17(26)14-11(21-15-12(29(2,27)28)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-19-17(26)14-11(21-15-12(27-2)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;7-5(8)4-3-6(4)1-2-6/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);3-6H,1-2H3,(H,14,19)(H,15,16,17);4H,1-3H2,(H2,7,8)
InChIKeyKSORZWLPGUVPOO-UHFFFAOYSA-N
XLogP6.17
TPSA374.83 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001221.85
LogP ≤ 56.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide (CID 159228401) is 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide is CNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(NC(=O)C2CC23CC3)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(NC(=O)C2CC23CC3)cc1Nc1ncccc1SC.NC(=O)C1CC12CC2.
What is the InChIKey of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide?
The InChIKey is KSORZWLPGUVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S.C18H20N6O2S.C12H12ClN5OS.C6H9NO/c1-19-17(26)14-11(21-15-12(29(2,27)28)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-19-17(26)14-11(21-15-12(27-2)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;7-5(8)4-3-6(4)1-2-6/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);3-6H,1-2H3,(H,14,19)(H,15,16,17);4H,1-3H2,(H2,7,8).
What are the key properties of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide?
6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide has a molecular weight of 1221.85 g/mol, XLogP of 6.17, 17 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-(spiro[2.2]pentane-2-carbonylamino)pyridazine-3-carboxamide;spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 159228401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).