[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone

C24H30N4O2 — CID 67427331

IUPAC[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone
SMILESCc1ccc(OC(C)C)c(C(=O)[C@@]2(Cc3cn4cccc(C)c4n3)CCCCN2)n1
InChIInChI=1S/C24H30N4O2/c1-16(2)30-20-10-9-18(4)26-21(20)22(29)24(11-5-6-12-25-24)14-19-15-28-13-7-8-17(3)23(28)27-19/h7-10,13,15-16,25H,5-6,11-12,14H2,1-4H3/t24-/m0/s1
InChIKeyUVWAFAAALXECGG-DEOSSOPVSA-N
MW406.53 g/mol
LogP4.07
Rot. Bonds6

About [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone

[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 67427331) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID67427331
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone
SMILESCc1ccc(OC(C)C)c(C(=O)[C@@]2(Cc3cn4cccc(C)c4n3)CCCCN2)n1
InChIInChI=1S/C24H30N4O2/c1-16(2)30-20-10-9-18(4)26-21(20)22(29)24(11-5-6-12-25-24)14-19-15-28-13-7-8-17(3)23(28)27-19/h7-10,13,15-16,25H,5-6,11-12,14H2,1-4H3/t24-/m0/s1
InChIKeyUVWAFAAALXECGG-DEOSSOPVSA-N
XLogP4.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone (CID 67427331) is [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone is Cc1ccc(OC(C)C)c(C(=O)[C@@]2(Cc3cn4cccc(C)c4n3)CCCCN2)n1.
What is the InChIKey of [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is UVWAFAAALXECGG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16(2)30-20-10-9-18(4)26-21(20)22(29)24(11-5-6-12-25-24)14-19-15-28-13-7-8-17(3)23(28)27-19/h7-10,13,15-16,25H,5-6,11-12,14H2,1-4H3/t24-/m0/s1.
What are the key properties of [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone?
[(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 406.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]-(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 67427331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).