4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one

C21H33N5O2 — CID 70766866

IUPAC4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
SMILESCOCC(C)n1c(CCCC(=O)N2CCN(C)C(C)(C)C2)nc2cccnc21
InChIInChI=1S/C21H33N5O2/c1-16(14-28-5)26-18(23-17-8-7-11-22-20(17)26)9-6-10-19(27)25-13-12-24(4)21(2,3)15-25/h7-8,11,16H,6,9-10,12-15H2,1-5H3
InChIKeyYBMLEUMJAPZXDE-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.51
Rot. Bonds7

About 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one

4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one (PubChem CID 70766866) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
PubChem CID70766866
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
SMILESCOCC(C)n1c(CCCC(=O)N2CCN(C)C(C)(C)C2)nc2cccnc21
InChIInChI=1S/C21H33N5O2/c1-16(14-28-5)26-18(23-17-8-7-11-22-20(17)26)9-6-10-19(27)25-13-12-24(4)21(2,3)15-25/h7-8,11,16H,6,9-10,12-15H2,1-5H3
InChIKeyYBMLEUMJAPZXDE-UHFFFAOYSA-N
XLogP2.51
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
CID 70772681
1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
CID 70764041
N-(4-hydroxycyclohexyl)-4-[3-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 98271322
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
CID 46359973
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)pentan-2-amine
CID 82846873
4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid
CID 20955384
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 46360033
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-piperidin-1-ylbutan-1-one
CID 46360225
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
3-methoxy-1-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108265
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one (CID 70766866) is 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one is COCC(C)n1c(CCCC(=O)N2CCN(C)C(C)(C)C2)nc2cccnc21.
What is the InChIKey of 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
The InChIKey is YBMLEUMJAPZXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-16(14-28-5)26-18(23-17-8-7-11-22-20(17)26)9-6-10-19(27)25-13-12-24(4)21(2,3)15-25/h7-8,11,16H,6,9-10,12-15H2,1-5H3.
What are the key properties of 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one has a molecular weight of 387.53 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 70766866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).