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

C23H16ClN5O — CID 118707963

IUPAC6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncc(Cl)cc21
InChIInChI=1S/C23H16ClN5O/c1-29-14-19(22-20(29)12-17(24)13-28-22)15-2-4-18(5-3-15)30-23-21(26-10-11-27-23)16-6-8-25-9-7-16/h2-14H,1H3
InChIKeySKJVSJPLXYJROT-UHFFFAOYSA-N
MW413.87 g/mol
LogP5.54
Rot. Bonds4

About 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine

6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine (PubChem CID 118707963) has the molecular formula C23H16ClN5O and a molecular weight of 413.87 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
PubChem CID118707963
Molecular FormulaC23H16ClN5O
Molecular Weight413.87 g/mol
Exact Mass413.10
IUPAC Name6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
SMILESCn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncc(Cl)cc21
InChIInChI=1S/C23H16ClN5O/c1-29-14-19(22-20(29)12-17(24)13-28-22)15-2-4-18(5-3-15)30-23-21(26-10-11-27-23)16-6-8-25-9-7-16/h2-14H,1H3
InChIKeySKJVSJPLXYJROT-UHFFFAOYSA-N
XLogP5.54
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.87
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine (CID 118707963) is 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine is Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
The InChIKey is SKJVSJPLXYJROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O/c1-29-14-19(22-20(29)12-17(24)13-28-22)15-2-4-18(5-3-15)30-23-21(26-10-11-27-23)16-6-8-25-9-7-16/h2-14H,1H3.
What are the key properties of 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine?
6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine has a molecular weight of 413.87 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118707963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).