methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate

C25H30N4O3 — CID 176501074

IUPACmethyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC2CCN(C(=O)c3cnc4c(c3)ncn4CC(C)C)C2)cc1
InChIInChI=1S/C25H30N4O3/c1-17(2)14-29-16-27-22-12-21(13-26-24(22)29)25(31)28-9-8-20(15-28)10-18-4-6-19(7-5-18)11-23(30)32-3/h4-7,12-13,16-17,20H,8-11,14-15H2,1-3H3
InChIKeyJXSCNNISDYOCIK-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.51
Rot. Bonds7

About methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate

methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate (PubChem CID 176501074) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate
PubChem CID176501074
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Namemethyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CC2CCN(C(=O)c3cnc4c(c3)ncn4CC(C)C)C2)cc1
InChIInChI=1S/C25H30N4O3/c1-17(2)14-29-16-27-22-12-21(13-26-24(22)29)25(31)28-9-8-20(15-28)10-18-4-6-19(7-5-18)11-23(30)32-3/h4-7,12-13,16-17,20H,8-11,14-15H2,1-3H3
InChIKeyJXSCNNISDYOCIK-UHFFFAOYSA-N
XLogP3.51
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate with MolForge

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Related Compounds

[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503662
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176504679
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503776
[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503964
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
N-methyl-N-(1-methylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175642076
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 176500220
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176507089
3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175642857
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate (CID 176501074) is methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate is COC(=O)Cc1ccc(CC2CCN(C(=O)c3cnc4c(c3)ncn4CC(C)C)C2)cc1.
What is the InChIKey of methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate?
The InChIKey is JXSCNNISDYOCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)14-29-16-27-22-12-21(13-26-24(22)29)25(31)28-9-8-20(15-28)10-18-4-6-19(7-5-18)11-23(30)32-3/h4-7,12-13,16-17,20H,8-11,14-15H2,1-3H3.
What are the key properties of methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate?
methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate has a molecular weight of 434.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate is sourced from PubChem (CID 176501074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).