3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine

C18H23N3O — CID 169090211

IUPAC3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1C=C(c2c[nH]c3ncccc23)CN(CC2(C)COC2)C1
InChIInChI=1S/C18H23N3O/c1-13-6-14(9-21(8-13)10-18(2)11-22-12-18)16-7-20-17-15(16)4-3-5-19-17/h3-7,13H,8-12H2,1-2H3,(H,19,20)
InChIKeyPBEHSUJMLLZWAO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.93
Rot. Bonds3

About 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine

3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 169090211) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID169090211
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1C=C(c2c[nH]c3ncccc23)CN(CC2(C)COC2)C1
InChIInChI=1S/C18H23N3O/c1-13-6-14(9-21(8-13)10-18(2)11-22-12-18)16-7-20-17-15(16)4-3-5-19-17/h3-7,13H,8-12H2,1-2H3,(H,19,20)
InChIKeyPBEHSUJMLLZWAO-UHFFFAOYSA-N
XLogP2.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 169090211) is 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is CC1C=C(c2c[nH]c3ncccc23)CN(CC2(C)COC2)C1.
What is the InChIKey of 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PBEHSUJMLLZWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-6-14(9-21(8-13)10-18(2)11-22-12-18)16-7-20-17-15(16)4-3-5-19-17/h3-7,13H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 297.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 169090211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).