[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

C21H26N6O — CID 56863882

IUPAC[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccn2c(CN3CCc4[nH]ncc4C3)c(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C21H26N6O/c1-15-6-5-10-27-18(14-25-11-7-17-16(13-25)12-22-24-17)19(23-20(15)27)21(28)26-8-3-2-4-9-26/h5-6,10,12H,2-4,7-9,11,13-14H2,1H3,(H,22,24)
InChIKeyICBOMEUAUYCGEQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.55
Rot. Bonds3

About [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (PubChem CID 56863882) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
PubChem CID56863882
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccn2c(CN3CCc4[nH]ncc4C3)c(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C21H26N6O/c1-15-6-5-10-27-18(14-25-11-7-17-16(13-25)12-22-24-17)19(23-20(15)27)21(28)26-8-3-2-4-9-26/h5-6,10,12H,2-4,7-9,11,13-14H2,1H3,(H,22,24)
InChIKeyICBOMEUAUYCGEQ-UHFFFAOYSA-N
XLogP2.55
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-hydroxyazetidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863813
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122257
[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 42196675
azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 25274060
[8-methyl-3-[[[(2S)-1-pyridin-3-ylpropan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26404280
[8-methyl-3-[(1-pyridin-3-ylpropan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 45249556
[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26395566
[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26396904
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (CID 56863882) is [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is Cc1cccn2c(CN3CCc4[nH]ncc4C3)c(C(=O)N3CCCCC3)nc12.
What is the InChIKey of [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ICBOMEUAUYCGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-6-5-10-27-18(14-25-11-7-17-16(13-25)12-22-24-17)19(23-20(15)27)21(28)26-8-3-2-4-9-26/h5-6,10,12H,2-4,7-9,11,13-14H2,1H3,(H,22,24).
What are the key properties of [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 378.48 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56863882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).