5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine

C23H29N5 — CID 151650457

IUPAC5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(N2CCN(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CC2)CC1
InChIInChI=1S/C23H29N5/c1-26-10-7-22(8-11-26)28-14-12-27(13-15-28)21-4-2-18(3-5-21)20-16-19-6-9-24-23(19)25-17-20/h2-6,9,16-17,22H,7-8,10-15H2,1H3,(H,24,25)
InChIKeyQUKFUXQOMLORCL-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.45
Rot. Bonds3

About 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine

5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 151650457) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID151650457
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(N2CCN(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CC2)CC1
InChIInChI=1S/C23H29N5/c1-26-10-7-22(8-11-26)28-14-12-27(13-15-28)21-4-2-18(3-5-21)20-16-19-6-9-24-23(19)25-17-20/h2-6,9,16-17,22H,7-8,10-15H2,1H3,(H,24,25)
InChIKeyQUKFUXQOMLORCL-UHFFFAOYSA-N
XLogP3.45
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 151650457) is 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine is CN1CCC(N2CCN(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CC2)CC1.
What is the InChIKey of 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QUKFUXQOMLORCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-26-10-7-22(8-11-26)28-14-12-27(13-15-28)21-4-2-18(3-5-21)20-16-19-6-9-24-23(19)25-17-20/h2-6,9,16-17,22H,7-8,10-15H2,1H3,(H,24,25).
What are the key properties of 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 375.52 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 151650457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).