4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine

C21H23NO — CID 145143543

IUPAC4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine
SMILESCc1ccnc2c1C=CC2CC[C@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C21H23NO/c1-15-13-14-22-21-17(8-11-19(15)21)7-9-18-10-12-20(23-18)16-5-3-2-4-6-16/h2-6,8,11,13-14,17-18,20H,7,9-10,12H2,1H3/t17?,18-,20+/m0/s1
InChIKeyCZCBKKRFGNMWCZ-AQCCAAQSSA-N
MW305.42 g/mol
LogP5.20
Rot. Bonds4

About 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine

4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine (PubChem CID 145143543) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine
PubChem CID145143543
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine
SMILESCc1ccnc2c1C=CC2CC[C@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C21H23NO/c1-15-13-14-22-21-17(8-11-19(15)21)7-9-18-10-12-20(23-18)16-5-3-2-4-6-16/h2-6,8,11,13-14,17-18,20H,7,9-10,12H2,1H3/t17?,18-,20+/m0/s1
InChIKeyCZCBKKRFGNMWCZ-AQCCAAQSSA-N
XLogP5.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
CID 156851355
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
benzyl-dimethyl-[(5-phenyloxolan-2-yl)methyl]silane
CID 85432039
1,3-dimethyl-N-[[(2R,5S)-5-phenyloxolan-2-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
CID 167784759
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
methyl (5-phenyloxolan-2-yl)methyl carbonate
CID 21306100
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine
CID 164609782
(5-phenyloxolan-2-yl) acetate
CID 121009133

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine (CID 145143543) is 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine is Cc1ccnc2c1C=CC2CC[C@H]1CC[C@H](c2ccccc2)O1.
What is the InChIKey of 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine?
The InChIKey is CZCBKKRFGNMWCZ-AQCCAAQSSA-N. The full InChI is InChI=1S/C21H23NO/c1-15-13-14-22-21-17(8-11-19(15)21)7-9-18-10-12-20(23-18)16-5-3-2-4-6-16/h2-6,8,11,13-14,17-18,20H,7,9-10,12H2,1H3/t17?,18-,20+/m0/s1.
What are the key properties of 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine?
4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine has a molecular weight of 305.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 145143543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).