2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine

C22H26N2O2 — CID 141178646

IUPAC2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine
SMILESCC(C)Oc1ccc(C2=CCc3cc(CN4CCCC4)cnc3O2)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)25-20-8-5-18(6-9-20)21-10-7-19-13-17(14-23-22(19)26-21)15-24-11-3-4-12-24/h5-6,8-10,13-14,16H,3-4,7,11-12,15H2,1-2H3
InChIKeyCGVKWTSOBJXARI-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine

2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine (PubChem CID 141178646) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine
PubChem CID141178646
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine
SMILESCC(C)Oc1ccc(C2=CCc3cc(CN4CCCC4)cnc3O2)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)25-20-8-5-18(6-9-20)21-10-7-19-13-17(14-23-22(19)26-21)15-24-11-3-4-12-24/h5-6,8-10,13-14,16H,3-4,7,11-12,15H2,1-2H3
InChIKeyCGVKWTSOBJXARI-UHFFFAOYSA-N
XLogP4.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
CID 170589062
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45220380
4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxylic acid
CID 118040700
1-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone;sulfane
CID 170978699
N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223769
5-[4-(azetidin-1-ylmethyl)phenyl]-3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 141206756
4-[6-(piperidin-1-ylmethyl)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 70645287
(6S)-1'-[(4-propan-2-yloxyphenyl)methyl]spiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-diamine
CID 124967614
2-(4-propan-2-yloxyphenyl)-4-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyridine
CID 95129452
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
CID 91000508
[4-(azepan-1-ylmethyl)-2-propan-2-yloxyphenyl]methanamine
CID 84754923

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine (CID 141178646) is 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine is CC(C)Oc1ccc(C2=CCc3cc(CN4CCCC4)cnc3O2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine?
The InChIKey is CGVKWTSOBJXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)25-20-8-5-18(6-9-20)21-10-7-19-13-17(14-23-22(19)26-21)15-24-11-3-4-12-24/h5-6,8-10,13-14,16H,3-4,7,11-12,15H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine?
2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine has a molecular weight of 350.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 141178646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).