6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol

C25H30FN5O — CID 170630085

IUPAC6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol
SMILESCc1ccc2cc(-c3cc4c(nn3)N([C@H]3CC(C)(C)NC(C)(C)[C@H]3F)CC4)c(O)cc2n1
InChIInChI=1S/C25H30FN5O/c1-14-6-7-15-10-17(21(32)12-18(15)27-14)19-11-16-8-9-31(23(16)29-28-19)20-13-24(2,3)30-25(4,5)22(20)26/h6-7,10-12,20,22,30,32H,8-9,13H2,1-5H3/t20-,22-/m0/s1
InChIKeyKWDHUMUQLBABCP-UNMCSNQZSA-N
MW435.55 g/mol
LogP4.33
Rot. Bonds2

About 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol

6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol (PubChem CID 170630085) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol.

Molecular Properties

Compound Name6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol
PubChem CID170630085
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol
SMILESCc1ccc2cc(-c3cc4c(nn3)N([C@H]3CC(C)(C)NC(C)(C)[C@H]3F)CC4)c(O)cc2n1
InChIInChI=1S/C25H30FN5O/c1-14-6-7-15-10-17(21(32)12-18(15)27-14)19-11-16-8-9-31(23(16)29-28-19)20-13-24(2,3)30-25(4,5)22(20)26/h6-7,10-12,20,22,30,32H,8-9,13H2,1-5H3/t20-,22-/m0/s1
InChIKeyKWDHUMUQLBABCP-UNMCSNQZSA-N
XLogP4.33
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol?
The IUPAC name of 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol (CID 170630085) is 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol.
What is the SMILES notation for 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol?
The canonical SMILES for 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol is Cc1ccc2cc(-c3cc4c(nn3)N([C@H]3CC(C)(C)NC(C)(C)[C@H]3F)CC4)c(O)cc2n1.
What is the InChIKey of 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol?
The InChIKey is KWDHUMUQLBABCP-UNMCSNQZSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-14-6-7-15-10-17(21(32)12-18(15)27-14)19-11-16-8-9-31(23(16)29-28-19)20-13-24(2,3)30-25(4,5)22(20)26/h6-7,10-12,20,22,30,32H,8-9,13H2,1-5H3/t20-,22-/m0/s1.
What are the key properties of 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol?
6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol has a molecular weight of 435.55 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-7-ol is sourced from PubChem (CID 170630085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).