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

C25H30FN5O — CID 170630055

IUPAC7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol
SMILESCc1ccc2cc(O)c(-c3cc4c(nn3)N([C@H]3CC(C)(C)NC(C)(C)[C@H]3F)CC4)cc2n1
InChIInChI=1S/C25H30FN5O/c1-14-6-7-15-11-21(32)17(12-18(15)27-14)19-10-16-8-9-31(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
InChIKeyGRDPBIDDZFTNBL-UNMCSNQZSA-N
MW435.55 g/mol
LogP4.33
Rot. Bonds2

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

7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol (PubChem CID 170630055) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol.

Molecular Properties

Compound Name7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol
PubChem CID170630055
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol
SMILESCc1ccc2cc(O)c(-c3cc4c(nn3)N([C@H]3CC(C)(C)NC(C)(C)[C@H]3F)CC4)cc2n1
InChIInChI=1S/C25H30FN5O/c1-14-6-7-15-11-21(32)17(12-18(15)27-14)19-10-16-8-9-31(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
InChIKeyGRDPBIDDZFTNBL-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 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol
CID 170630098
6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzothiazol-5-ol
CID 170630123
6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-5-hydroxy-3H-1,3-benzoxazol-2-one
CID 170630141
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-6-hydroxychromen-4-one
CID 170630058
6-[7-[(3R,4R)-3-fluoro-2,2-dimethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 170630083
7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-3-[2-(methoxymethoxy)-4-(4-methyltriazol-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-c]pyridazine
CID 167449907
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol
CID 170630108
[6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylsulfanyl-1,3-benzothiazol-5-yl] formate
CID 175988226
6-[7-[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzothiazol-5-ol
CID 175988243
6-[7-[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzothiazol-5-ol
CID 174277466
6-[7-[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzothiazol-5-ol
CID 175988230
6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]isoquinolin-7-ol
CID 170630112

Frequently Asked Questions

What is the IUPAC name of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol?
The IUPAC name of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol (CID 170630055) is 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol.
What is the SMILES notation for 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol?
The canonical SMILES for 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol is Cc1ccc2cc(O)c(-c3cc4c(nn3)N([C@H]3CC(C)(C)NC(C)(C)[C@H]3F)CC4)cc2n1.
What is the InChIKey of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol?
The InChIKey is GRDPBIDDZFTNBL-UNMCSNQZSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-14-6-7-15-11-21(32)17(12-18(15)27-14)19-10-16-8-9-31(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 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol?
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-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 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol is sourced from PubChem (CID 170630055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).