3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol

C29H27N9O — CID 150175812

IUPAC3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol
SMILESCc1cnn(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CC(C)(O)C7)cc6)c(C)nn45)ccnc3n2)n1
InChIInChI=1S/C29H27N9O/c1-18-13-32-38(34-18)26-9-8-23-22(10-11-30-28(23)33-26)25-14-31-27-12-24(19(2)35-37(25)27)21-6-4-20(5-7-21)15-36-16-29(3,39)17-36/h4-14,39H,15-17H2,1-3H3
InChIKeyFKJVKOKLPGNKJE-UHFFFAOYSA-N
MW517.60 g/mol
LogP3.77
Rot. Bonds5

About 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol

3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol (PubChem CID 150175812) has the molecular formula C29H27N9O and a molecular weight of 517.60 g/mol. Its IUPAC name is 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol
PubChem CID150175812
Molecular FormulaC29H27N9O
Molecular Weight517.60 g/mol
Exact Mass517.23
IUPAC Name3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol
SMILESCc1cnn(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CC(C)(O)C7)cc6)c(C)nn45)ccnc3n2)n1
InChIInChI=1S/C29H27N9O/c1-18-13-32-38(34-18)26-9-8-23-22(10-11-30-28(23)33-26)25-14-31-27-12-24(19(2)35-37(25)27)21-6-4-20(5-7-21)15-36-16-29(3,39)17-36/h4-14,39H,15-17H2,1-3H3
InChIKeyFKJVKOKLPGNKJE-UHFFFAOYSA-N
XLogP3.77
TPSA110.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.60
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol with MolForge

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Related Compounds

4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
CID 154942701
3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 146316112
4-methyl-11-phenyl-12-[4-(pyrazol-1-ylmethyl)phenyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 66629415
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 146316103
3-amino-1-methyl-3-[4-(4-methyl-11-pyridin-4-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]cyclobutan-1-ol
CID 58034438
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
CID 107886027
[4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 56644560
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103358276
1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol
CID 116519896
N-[1-[[4-(4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46941126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol?
The IUPAC name of 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol (CID 150175812) is 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol?
The canonical SMILES for 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol is Cc1cnn(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CC(C)(O)C7)cc6)c(C)nn45)ccnc3n2)n1.
What is the InChIKey of 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol?
The InChIKey is FKJVKOKLPGNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N9O/c1-18-13-32-38(34-18)26-9-8-23-22(10-11-30-28(23)33-26)25-14-31-27-12-24(19(2)35-37(25)27)21-6-4-20(5-7-21)15-36-16-29(3,39)17-36/h4-14,39H,15-17H2,1-3H3.
What are the key properties of 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol?
3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol has a molecular weight of 517.60 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 150175812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).