1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine

C23H17N5O — CID 90718236

IUPAC1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncccc21
InChIInChI=1S/C23H17N5O/c1-28-15-19(22-20(28)3-2-10-25-22)16-4-6-18(7-5-16)29-23-21(26-13-14-27-23)17-8-11-24-12-9-17/h2-15H,1H3
InChIKeySWHQBIRUZBZCMN-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.88
Rot. Bonds4

About 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine

1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine (PubChem CID 90718236) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
PubChem CID90718236
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncccc21
InChIInChI=1S/C23H17N5O/c1-28-15-19(22-20(28)3-2-10-25-22)16-4-6-18(7-5-16)29-23-21(26-13-14-27-23)17-8-11-24-12-9-17/h2-15H,1H3
InChIKeySWHQBIRUZBZCMN-UHFFFAOYSA-N
XLogP4.88
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
N-butylharmine
CID 486624
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
N-Ethylharmine
CID 486623
N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine
CID 389733
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one
CID 122196403
3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9841261
2-(4-Piperidinopropoxyphenyl)indolizine
CID 9923762
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-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine (CID 90718236) is 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine is Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncccc21.
What is the InChIKey of 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
The InChIKey is SWHQBIRUZBZCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-28-15-19(22-20(28)3-2-10-25-22)16-4-6-18(7-5-16)29-23-21(26-13-14-27-23)17-8-11-24-12-9-17/h2-15H,1H3.
What are the key properties of 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine has a molecular weight of 379.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 90718236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).