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

C18H20N4O — CID 86294325

IUPAC4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccnc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C18H20N4O/c1-23-16-3-2-7-20-17(16)13-6-10-21-18-14(13)11-15(22-18)12-4-8-19-9-5-12/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3,(H,21,22)
InChIKeySDRLTBJZPCHNNR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.10
Rot. Bonds3

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

4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 86294325) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID86294325
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccnc1-c1ccnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C18H20N4O/c1-23-16-3-2-7-20-17(16)13-6-10-21-18-14(13)11-15(22-18)12-4-8-19-9-5-12/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3,(H,21,22)
InChIKeySDRLTBJZPCHNNR-UHFFFAOYSA-N
XLogP3.10
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 86294325) is 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is COc1cccnc1-c1ccnc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SDRLTBJZPCHNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-16-3-2-7-20-17(16)13-6-10-21-18-14(13)11-15(22-18)12-4-8-19-9-5-12/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3,(H,21,22).
What are the key properties of 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 308.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-pyridinyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 86294325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).