1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine

C24H18N4O — CID 118707964

IUPAC1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc21
InChIInChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3
InChIKeyPXEFANVMGUOBFR-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.49
Rot. Bonds4

About 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine

1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine (PubChem CID 118707964) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
PubChem CID118707964
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc21
InChIInChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3
InChIKeyPXEFANVMGUOBFR-UHFFFAOYSA-N
XLogP5.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

N-butylharmine
CID 486624
N-Ethylharmine
CID 486623
N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine
CID 389733
9H-Pyrido[3,4-b]indole, 7-methoxy-1,9-dimethyl-
CID 486622
US10034861, Example 165
CID 132273284
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9841261
DYRK1A/B Inhibitor AnnH31
CID 9881447
1-Methyl-7-benzyloxy-beta-carboline
CID 9882402
2-(4-Piperidinopropoxyphenyl)indolizine
CID 9923762
1-Methyl-2-[2-methyl-4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9925192
1-Ethyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9968975

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine (CID 118707964) is 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine is Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc21.
What is the InChIKey of 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
The InChIKey is PXEFANVMGUOBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3.
What are the key properties of 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine?
1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine has a molecular weight of 378.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118707964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).