methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate

C18H19N5O3 — CID 175125687

IUPACmethyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N2CCNCC2)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C18H19N5O3/c1-25-18(24)16-15(9-13(10-21-16)23-6-4-19-5-7-23)26-14-8-12-2-3-20-17(12)22-11-14/h2-3,8-11,19H,4-7H2,1H3,(H,20,22)
InChIKeyGHNZSTRPRVHGTL-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.95
Rot. Bonds4

About methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate

methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate (PubChem CID 175125687) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate
PubChem CID175125687
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Namemethyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N2CCNCC2)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C18H19N5O3/c1-25-18(24)16-15(9-13(10-21-16)23-6-4-19-5-7-23)26-14-8-12-2-3-20-17(12)22-11-14/h2-3,8-11,19H,4-7H2,1H3,(H,20,22)
InChIKeyGHNZSTRPRVHGTL-UHFFFAOYSA-N
XLogP1.95
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate with MolForge

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Related Compounds

methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol
CID 134256832
methyl 4-phosphanyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 152853712
4-(4-iodopiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 134446807
methyl 2,4-bis(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 169443489
4-[4-(aminomethyl)piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 134173284
methyl 4-[4-[(2-bromo-4,4-dimethylcyclohexen-1-yl)methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 164896708
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
methyl 2-[[6-(2,2-difluoroethylamino)-3-pyridinyl]oxy]-4-piperazin-1-ylbenzoate
CID 87316511
methyl 4-[4-[[4,4-dimethyl-2-(4-methylphenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 178081578
methyl 2-[(6,7-difluoro-1H-indol-5-yl)oxy]-4-piperazin-1-ylbenzoate
CID 67225439
4-[(2R)-2-methylpiperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzonitrile
CID 170138548
1-[4-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]ethanone
CID 138577920

Frequently Asked Questions

What is the IUPAC name of methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate (CID 175125687) is methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate is COC(=O)c1ncc(N2CCNCC2)cc1Oc1cnc2[nH]ccc2c1.
What is the InChIKey of methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate?
The InChIKey is GHNZSTRPRVHGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-18(24)16-15(9-13(10-21-16)23-6-4-19-5-7-23)26-14-8-12-2-3-20-17(12)22-11-14/h2-3,8-11,19H,4-7H2,1H3,(H,20,22).
What are the key properties of methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate?
methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate is sourced from PubChem (CID 175125687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).