methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate

C22H25N5O3 — CID 176504456

IUPACmethyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate
SMILESCCC1(C(=O)OC)CCCN(C(=O)c2cnc3c(c2)ncn3Cc2ccccn2)C1
InChIInChI=1S/C22H25N5O3/c1-3-22(21(29)30-2)8-6-10-26(14-22)20(28)16-11-18-19(24-12-16)27(15-25-18)13-17-7-4-5-9-23-17/h4-5,7,9,11-12,15H,3,6,8,10,13-14H2,1-2H3
InChIKeyWOMAVTXUQIUABP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.68
Rot. Bonds5

About methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate

methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate (PubChem CID 176504456) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate
PubChem CID176504456
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Namemethyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate
SMILESCCC1(C(=O)OC)CCCN(C(=O)c2cnc3c(c2)ncn3Cc2ccccn2)C1
InChIInChI=1S/C22H25N5O3/c1-3-22(21(29)30-2)8-6-10-26(14-22)20(28)16-11-18-19(24-12-16)27(15-25-18)13-17-7-4-5-9-23-17/h4-5,7,9,11-12,15H,3,6,8,10,13-14H2,1-2H3
InChIKeyWOMAVTXUQIUABP-UHFFFAOYSA-N
XLogP2.68
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 176505929
3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503465
N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503359
2-methoxy-1-[4-[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 176502359
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505417
8a-ethyl-7-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 176506766
1-O-benzyl 3-O-methyl (3S)-3-ethylpiperidine-1,3-dicarboxylate
CID 97103844
2-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176500676
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 63134123
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate?
The IUPAC name of methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate (CID 176504456) is methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate is CCC1(C(=O)OC)CCCN(C(=O)c2cnc3c(c2)ncn3Cc2ccccn2)C1.
What is the InChIKey of methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate?
The InChIKey is WOMAVTXUQIUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-22(21(29)30-2)8-6-10-26(14-22)20(28)16-11-18-19(24-12-16)27(15-25-18)13-17-7-4-5-9-23-17/h4-5,7,9,11-12,15H,3,6,8,10,13-14H2,1-2H3.
What are the key properties of methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate?
methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 176504456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).