(2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid

C26H26N4O2 — CID 129019472

IUPAC(2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid
SMILESCc1c(-c2ccccc2)cccc1-c1cn2nc(CN3CCCC[C@H]3C(=O)O)ccc2n1
InChIInChI=1S/C26H26N4O2/c1-18-21(19-8-3-2-4-9-19)10-7-11-22(18)23-17-30-25(27-23)14-13-20(28-30)16-29-15-6-5-12-24(29)26(31)32/h2-4,7-11,13-14,17,24H,5-6,12,15-16H2,1H3,(H,31,32)/t24-/m0/s1
InChIKeyIMVWRGPGJACMAV-DEOSSOPVSA-N
MW426.52 g/mol
LogP4.81
Rot. Bonds5

About (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid

(2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 129019472) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid
PubChem CID129019472
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid
SMILESCc1c(-c2ccccc2)cccc1-c1cn2nc(CN3CCCC[C@H]3C(=O)O)ccc2n1
InChIInChI=1S/C26H26N4O2/c1-18-21(19-8-3-2-4-9-19)10-7-11-22(18)23-17-30-25(27-23)14-13-20(28-30)16-29-15-6-5-12-24(29)26(31)32/h2-4,7-11,13-14,17,24H,5-6,12,15-16H2,1H3,(H,31,32)/t24-/m0/s1
InChIKeyIMVWRGPGJACMAV-DEOSSOPVSA-N
XLogP4.81
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 129137982
(2S)-1-[[1-methyl-3-[2-(2-methyl-3-phenylphenyl)acetyl]pyrazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 147796151
(2S)-1-[[4-methyl-6-[2-(2-methyl-3-phenylphenyl)acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 147075376
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
1-[[2-(2-methyl-3-phenylphenyl)-6-propan-2-yloxy-1,3-benzoxazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 150780569
1-[[5-methyl-2-[(2-methyl-3-phenylphenyl)carbamoyl]-4-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 167006153
1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3611610
1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036442
1-[[2-[(2-bromo-3-phenylphenyl)methoxy]-4,6-dimethoxypyrimidin-5-yl]methyl]piperidine-2-carboxylic acid
CID 175489974
(2S)-1-[[2-methoxy-4-(2-methyl-3-phenylbenzoyl)oxyphenyl]methyl]piperidine-2-carboxylic acid
CID 177373868
1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid (CID 129019472) is (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid is Cc1c(-c2ccccc2)cccc1-c1cn2nc(CN3CCCC[C@H]3C(=O)O)ccc2n1.
What is the InChIKey of (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is IMVWRGPGJACMAV-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-21(19-8-3-2-4-9-19)10-7-11-22(18)23-17-30-25(27-23)14-13-20(28-30)16-29-15-6-5-12-24(29)26(31)32/h2-4,7-11,13-14,17,24H,5-6,12,15-16H2,1H3,(H,31,32)/t24-/m0/s1.
What are the key properties of (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid?
(2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 426.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(2-methyl-3-phenylphenyl)imidazo[1,2-b]pyridazin-6-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 129019472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).