2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C17H24N4 — CID 92571670

IUPAC2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(C3CCNCC3)c(CN3CCCC3)c2c1
InChIInChI=1S/C17H24N4/c1-2-11-21(10-1)12-15-14-4-3-7-19-17(14)20-16(15)13-5-8-18-9-6-13/h3-4,7,13,18H,1-2,5-6,8-12H2,(H,19,20)
InChIKeyCKSDHLPVDBNPKT-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.63
Rot. Bonds3

About 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92571670) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID92571670
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(C3CCNCC3)c(CN3CCCC3)c2c1
InChIInChI=1S/C17H24N4/c1-2-11-21(10-1)12-15-14-4-3-7-19-17(14)20-16(15)13-5-8-18-9-6-13/h3-4,7,13,18H,1-2,5-6,8-12H2,(H,19,20)
InChIKeyCKSDHLPVDBNPKT-UHFFFAOYSA-N
XLogP2.63
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 92571670) is 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]c(C3CCNCC3)c(CN3CCCC3)c2c1.
What is the InChIKey of 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CKSDHLPVDBNPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-11-21(10-1)12-15-14-4-3-7-19-17(14)20-16(15)13-5-8-18-9-6-13/h3-4,7,13,18H,1-2,5-6,8-12H2,(H,19,20).
What are the key properties of 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 284.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92571670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).