1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C18H21N5O — CID 166257543

IUPAC1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCC(c4cnc[nH]4)CC3)cnc12
InChIInChI=1S/C18H21N5O/c1-13-3-2-6-23-15(10-20-18(13)23)9-17(24)22-7-4-14(5-8-22)16-11-19-12-21-16/h2-3,6,10-12,14H,4-5,7-9H2,1H3,(H,19,21)
InChIKeySWSYVUFPNFPMSG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.31
Rot. Bonds3

About 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 166257543) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID166257543
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCC(c4cnc[nH]4)CC3)cnc12
InChIInChI=1S/C18H21N5O/c1-13-3-2-6-23-15(10-20-18(13)23)9-17(24)22-7-4-14(5-8-22)16-11-19-12-21-16/h2-3,6,10-12,14H,4-5,7-9H2,1H3,(H,19,21)
InChIKeySWSYVUFPNFPMSG-UHFFFAOYSA-N
XLogP2.31
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880147
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 166616819
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
CID 70704986
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 138806168
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 74245928
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 74245617
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
CID 166204958
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 133267825
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 131939331
3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56897661
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
CID 56911408
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone
CID 163315758

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 166257543) is 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1cccn2c(CC(=O)N3CCC(c4cnc[nH]4)CC3)cnc12.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is SWSYVUFPNFPMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-3-2-6-23-15(10-20-18(13)23)9-17(24)22-7-4-14(5-8-22)16-11-19-12-21-16/h2-3,6,10-12,14H,4-5,7-9H2,1H3,(H,19,21).
What are the key properties of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 323.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 166257543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).