2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

C25H30N6 — CID 95814038

IUPAC2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(Cc3c(C)nc4c(C)cccn34)C2)n1
InChIInChI=1S/C25H30N6/c1-17-7-5-10-31-24(19(3)28-25(17)31)16-30-9-6-8-20(15-30)23-12-21(11-18(2)27-23)22-13-26-29(4)14-22/h5,7,10-14,20H,6,8-9,15-16H2,1-4H3/t20-/m1/s1
InChIKeyGAFJCNACZHLPCW-HXUWFJFHSA-N
MW414.56 g/mol
LogP4.43
Rot. Bonds4

About 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 95814038) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID95814038
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(Cc3c(C)nc4c(C)cccn34)C2)n1
InChIInChI=1S/C25H30N6/c1-17-7-5-10-31-24(19(3)28-25(17)31)16-30-9-6-8-20(15-30)23-12-21(11-18(2)27-23)22-13-26-29(4)14-22/h5,7,10-14,20H,6,8-9,15-16H2,1-4H3/t20-/m1/s1
InChIKeyGAFJCNACZHLPCW-HXUWFJFHSA-N
XLogP4.43
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95814034
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 95813947
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252516
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
2-cyclohexyl-6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944995

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 95814038) is 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(Cc3c(C)nc4c(C)cccn34)C2)n1.
What is the InChIKey of 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is GAFJCNACZHLPCW-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N6/c1-17-7-5-10-31-24(19(3)28-25(17)31)16-30-9-6-8-20(15-30)23-12-21(11-18(2)27-23)22-13-26-29(4)14-22/h5,7,10-14,20H,6,8-9,15-16H2,1-4H3/t20-/m1/s1.
What are the key properties of 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 414.56 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 95814038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).