1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine

C17H18N2 — CID 58431450

IUPAC1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)c([C@@H](C)c1ccccc1)cn2C
InChIInChI=1S/C17H18N2/c1-12-9-15-16(11-19(3)17(15)18-10-12)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyPVUQYJCRRXGRHR-ZDUSSCGKSA-N
MW250.34 g/mol
LogP4.03
Rot. Bonds2

About 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine

1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine (PubChem CID 58431450) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine
PubChem CID58431450
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)c([C@@H](C)c1ccccc1)cn2C
InChIInChI=1S/C17H18N2/c1-12-9-15-16(11-19(3)17(15)18-10-12)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyPVUQYJCRRXGRHR-ZDUSSCGKSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine (CID 58431450) is 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine is Cc1cnc2c(c1)c([C@@H](C)c1ccccc1)cn2C.
What is the InChIKey of 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine?
The InChIKey is PVUQYJCRRXGRHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-9-15-16(11-19(3)17(15)18-10-12)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3/t13-/m0/s1.
What are the key properties of 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine?
1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine has a molecular weight of 250.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58431450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).