ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate

C24H30N6O4 — CID 94128979

IUPACethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H30N6O4/c1-4-34-23(31)17(2)26-24(32)29-14-12-28(13-15-29)16-21-27-20-6-5-11-25-22(20)30(21)18-7-9-19(33-3)10-8-18/h5-11,17H,4,12-16H2,1-3H3,(H,26,32)/t17-/m1/s1
InChIKeyJHDNWNPFCCLBRC-QGZVFWFLSA-N
MW466.54 g/mol
LogP2.21
Rot. Bonds7

About ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate

ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate (PubChem CID 94128979) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate
PubChem CID94128979
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Nameethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H30N6O4/c1-4-34-23(31)17(2)26-24(32)29-14-12-28(13-15-29)16-21-27-20-6-5-11-25-22(20)30(21)18-7-9-19(33-3)10-8-18/h5-11,17H,4,12-16H2,1-3H3,(H,26,32)/t17-/m1/s1
InChIKeyJHDNWNPFCCLBRC-QGZVFWFLSA-N
XLogP2.21
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-butan-2-yl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022625
N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022630
N-butan-2-yl-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830761
N-[(2S)-butan-2-yl]-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 95089700
4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
N-(2-chlorophenyl)-4-[[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022633
N-(2-methoxy-5-methylphenyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022682
N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022675
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120831
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
CID 46389083
N-(2,4-dimethoxyphenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120938

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate (CID 94128979) is ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate?
The InChIKey is JHDNWNPFCCLBRC-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-4-34-23(31)17(2)26-24(32)29-14-12-28(13-15-29)16-21-27-20-6-5-11-25-22(20)30(21)18-7-9-19(33-3)10-8-18/h5-11,17H,4,12-16H2,1-3H3,(H,26,32)/t17-/m1/s1.
What are the key properties of ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate?
ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate has a molecular weight of 466.54 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 94128979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).