methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol

C19H22N4O3 — CID 134256832

IUPACmethoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol
SMILESCOC(O)c1ccc(N2CCNCC2)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C19H22N4O3/c1-25-19(24)16-3-2-14(23-8-6-20-7-9-23)11-17(16)26-15-10-13-4-5-21-18(13)22-12-15/h2-5,10-12,19-20,24H,6-9H2,1H3,(H,21,22)
InChIKeyGOWBIRYDAAIUQS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.40
Rot. Bonds5

About methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol

methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol (PubChem CID 134256832) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol.

Molecular Properties

Compound Namemethoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol
PubChem CID134256832
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Namemethoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol
SMILESCOC(O)c1ccc(N2CCNCC2)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C19H22N4O3/c1-25-19(24)16-3-2-14(23-8-6-20-7-9-23)11-17(16)26-15-10-13-4-5-21-18(13)22-12-15/h2-5,10-12,19-20,24H,6-9H2,1H3,(H,21,22)
InChIKeyGOWBIRYDAAIUQS-UHFFFAOYSA-N
XLogP2.40
TPSA82.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-piperazin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)pyridine-2-carboxylate
CID 175125687
4-(4-iodopiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 134446807
4-[4-(aminomethyl)piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 134173284
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
4-[4-[[2-(3-chloropropyl)cyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 155473120
methyl 2-[[6-(2,2-difluoroethylamino)-3-pyridinyl]oxy]-4-piperazin-1-ylbenzoate
CID 87316511
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
methyl 4-phosphanyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 152853712
4-[4-[[2-(3-chlorobut-3-enyl)cyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 155242375
4-[4-[3-(4-chlorophenyl)-2,5-dimethylhex-2-enyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 175590553
4-[(2R)-2-methylpiperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzonitrile
CID 170138548
methyl 2,4-bis(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 169443489

Frequently Asked Questions

What is the IUPAC name of methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol?
The IUPAC name of methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol (CID 134256832) is methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol.
What is the SMILES notation for methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol?
The canonical SMILES for methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol is COC(O)c1ccc(N2CCNCC2)cc1Oc1cnc2[nH]ccc2c1.
What is the InChIKey of methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol?
The InChIKey is GOWBIRYDAAIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-19(24)16-3-2-14(23-8-6-20-7-9-23)11-17(16)26-15-10-13-4-5-21-18(13)22-12-15/h2-5,10-12,19-20,24H,6-9H2,1H3,(H,21,22).
What are the key properties of methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol?
methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol has a molecular weight of 354.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-piperazin-1-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]methanol is sourced from PubChem (CID 134256832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).