5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol

C21H23N7OS — CID 150300652

IUPAC5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
SMILESCN1CCC(N(C)c2nc3nnc(-c4ccc(-n5ccnc5)cc4O)cc3s2)CC1
InChIInChI=1S/C21H23N7OS/c1-26-8-5-14(6-9-26)27(2)21-23-20-19(30-21)12-17(24-25-20)16-4-3-15(11-18(16)29)28-10-7-22-13-28/h3-4,7,10-14,29H,5-6,8-9H2,1-2H3
InChIKeyGJNOHSCBUFXPJP-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.17
Rot. Bonds4

About 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol

5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (PubChem CID 150300652) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
PubChem CID150300652
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC Name5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
SMILESCN1CCC(N(C)c2nc3nnc(-c4ccc(-n5ccnc5)cc4O)cc3s2)CC1
InChIInChI=1S/C21H23N7OS/c1-26-8-5-14(6-9-26)27(2)21-23-20-19(30-21)12-17(24-25-20)16-4-3-15(11-18(16)29)28-10-7-22-13-28/h3-4,7,10-14,29H,5-6,8-9H2,1-2H3
InChIKeyGJNOHSCBUFXPJP-UHFFFAOYSA-N
XLogP3.17
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
The IUPAC name of 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (CID 150300652) is 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
The canonical SMILES for 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is CN1CCC(N(C)c2nc3nnc(-c4ccc(-n5ccnc5)cc4O)cc3s2)CC1.
What is the InChIKey of 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
The InChIKey is GJNOHSCBUFXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-26-8-5-14(6-9-26)27(2)21-23-20-19(30-21)12-17(24-25-20)16-4-3-15(11-18(16)29)28-10-7-22-13-28/h3-4,7,10-14,29H,5-6,8-9H2,1-2H3.
What are the key properties of 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?
5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol has a molecular weight of 421.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 150300652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).