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

C22H28N4O — CID 90419613

IUPAC2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccncc1-c1ccnc2[nH]c(C3CCN(C(C)(C)C)CC3)cc12
InChIInChI=1S/C22H28N4O/c1-22(2,3)26-11-7-15(8-12-26)19-13-17-16(5-10-24-21(17)25-19)18-14-23-9-6-20(18)27-4/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,24,25)
InChIKeyGGCLKRPQMFMKJB-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.61
Rot. Bonds3

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

2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90419613) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90419613
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccncc1-c1ccnc2[nH]c(C3CCN(C(C)(C)C)CC3)cc12
InChIInChI=1S/C22H28N4O/c1-22(2,3)26-11-7-15(8-12-26)19-13-17-16(5-10-24-21(17)25-19)18-14-23-9-6-20(18)27-4/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,24,25)
InChIKeyGGCLKRPQMFMKJB-UHFFFAOYSA-N
XLogP4.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 90419613) is 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccncc1-c1ccnc2[nH]c(C3CCN(C(C)(C)C)CC3)cc12.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GGCLKRPQMFMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-22(2,3)26-11-7-15(8-12-26)19-13-17-16(5-10-24-21(17)25-19)18-14-23-9-6-20(18)27-4/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,24,25).
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 364.49 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90419613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).