6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine

C23H30N6 — CID 139415693

IUPAC6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
SMILESCc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)nc1
InChIInChI=1S/C23H30N6/c1-19-4-6-21(24-18-19)27-14-16-28(17-15-27)22-7-5-20-8-11-29(23(20)25-22)13-12-26-9-2-3-10-26/h4-8,11,18H,2-3,9-10,12-17H2,1H3
InChIKeyKQYAUSALSDLRFQ-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.16
Rot. Bonds5

About 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine

6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine (PubChem CID 139415693) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
PubChem CID139415693
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
SMILESCc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)nc1
InChIInChI=1S/C23H30N6/c1-19-4-6-21(24-18-19)27-14-16-28(17-15-27)22-7-5-20-8-11-29(23(20)25-22)13-12-26-9-2-3-10-26/h4-8,11,18H,2-3,9-10,12-17H2,1H3
InChIKeyKQYAUSALSDLRFQ-UHFFFAOYSA-N
XLogP3.16
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine (CID 139415693) is 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine is Cc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)nc1.
What is the InChIKey of 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is KQYAUSALSDLRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-19-4-6-21(24-18-19)27-14-16-28(17-15-27)22-7-5-20-8-11-29(23(20)25-22)13-12-26-9-2-3-10-26/h4-8,11,18H,2-3,9-10,12-17H2,1H3.
What are the key properties of 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 390.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139415693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).