5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C23H26N6 — CID 155794913

IUPAC5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc2)CC1
InChIInChI=1S/C23H26N6/c1-27-7-9-29(10-8-27)15-17-3-5-18(6-4-17)19-11-21-22(14-25-23(21)24-12-19)20-13-26-28(2)16-20/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,24,25)
InChIKeyFPFDAVQMUGGSTI-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.38
Rot. Bonds4

About 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 155794913) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID155794913
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc2)CC1
InChIInChI=1S/C23H26N6/c1-27-7-9-29(10-8-27)15-17-3-5-18(6-4-17)19-11-21-22(14-25-23(21)24-12-19)20-13-26-28(2)16-20/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,24,25)
InChIKeyFPFDAVQMUGGSTI-UHFFFAOYSA-N
XLogP3.38
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 155794913) is 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc2)CC1.
What is the InChIKey of 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FPFDAVQMUGGSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-27-7-9-29(10-8-27)15-17-3-5-18(6-4-17)19-11-21-22(14-25-23(21)24-12-19)20-13-26-28(2)16-20/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,24,25).
What are the key properties of 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 386.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155794913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).