1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one

C29H36N4O2 — CID 142594298

IUPAC1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
SMILESCc1cn2cc(-c3[nH]c4ccc(C5CCN(C(=O)CC(C)O)CC5)cc4c3C(C)C)c(C)cc2n1
InChIInChI=1S/C29H36N4O2/c1-17(2)28-23-14-22(21-8-10-32(11-9-21)27(35)13-20(5)34)6-7-25(23)31-29(28)24-16-33-15-19(4)30-26(33)12-18(24)3/h6-7,12,14-17,20-21,31,34H,8-11,13H2,1-5H3
InChIKeyMEOPAWFTXJQJOZ-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.70
Rot. Bonds5

About 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one

1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one (PubChem CID 142594298) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
PubChem CID142594298
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
SMILESCc1cn2cc(-c3[nH]c4ccc(C5CCN(C(=O)CC(C)O)CC5)cc4c3C(C)C)c(C)cc2n1
InChIInChI=1S/C29H36N4O2/c1-17(2)28-23-14-22(21-8-10-32(11-9-21)27(35)13-20(5)34)6-7-25(23)31-29(28)24-16-33-15-19(4)30-26(33)12-18(24)3/h6-7,12,14-17,20-21,31,34H,8-11,13H2,1-5H3
InChIKeyMEOPAWFTXJQJOZ-UHFFFAOYSA-N
XLogP5.70
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one with MolForge

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Related Compounds

3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 155123900
3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one
CID 155123901
N,N-dimethyl-2-[4-[2-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594007
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(1-methylcyclopropyl)methylamino]ethanone
CID 134329917
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3,6-trimethylpyridin-2-one
CID 137469494
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1-ethyl-3,4-dimethylpyridin-2-one
CID 137464389
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087
N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide
CID 166839178
3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 134329418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
The IUPAC name of 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one (CID 142594298) is 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one.
What is the SMILES notation for 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
The canonical SMILES for 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one is Cc1cn2cc(-c3[nH]c4ccc(C5CCN(C(=O)CC(C)O)CC5)cc4c3C(C)C)c(C)cc2n1.
What is the InChIKey of 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
The InChIKey is MEOPAWFTXJQJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-17(2)28-23-14-22(21-8-10-32(11-9-21)27(35)13-20(5)34)6-7-25(23)31-29(28)24-16-33-15-19(4)30-26(33)12-18(24)3/h6-7,12,14-17,20-21,31,34H,8-11,13H2,1-5H3.
What are the key properties of 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one has a molecular weight of 472.63 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one is sourced from PubChem (CID 142594298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).