3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid

C21H17N3O3 — CID 134489253

IUPAC3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C21H17N3O3/c25-21(26)14-7-15(8-14)27-20-4-2-13(10-23-20)12-1-3-16-17-11-22-6-5-18(17)24-19(16)9-12/h1-6,9-11,14-15,24H,7-8H2,(H,25,26)
InChIKeyYAMWDNFNGROFEW-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.02
Rot. Bonds4

About 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid

3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid (PubChem CID 134489253) has the molecular formula C21H17N3O3 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
PubChem CID134489253
Molecular FormulaC21H17N3O3
Molecular Weight359.38 g/mol
Exact Mass359.13
IUPAC Name3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1
InChIInChI=1S/C21H17N3O3/c25-21(26)14-7-15(8-14)27-20-4-2-13(10-23-20)12-1-3-16-17-11-22-6-5-18(17)24-19(16)9-12/h1-6,9-11,14-15,24H,7-8H2,(H,25,26)
InChIKeyYAMWDNFNGROFEW-UHFFFAOYSA-N
XLogP4.02
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

6-fluoro-3-(6-(piperidin-4-yloxy)pyridin-3-yl)-1H-indole
CID 118292975
2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid
CID 139561369
2-(2-((4-(3-(aminomethyl)-2-fluorophenyl)-1H-indol-6-yl)methoxy)phenyl)acetic Acid
CID 139561443
2-[2-[[4-[3-(aminomethyl)-5-fluorophenyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid
CID 139561656
2-(2-((4-(3-(aminomethyl)phenyl)-1H-indol-6-yl)methoxy)phenyl)acetic Acid
CID 139561659
2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1H-indol-6-yl]methoxy]phenyl]acetic acid
CID 139561791
ethyl 4-[4-[bis(1H-indol-3-yl)methyl]phenoxy]butanoate
CID 57341504
3-[4-[1-(5-fluoro-1H-indol-6-yl)-2-phenylethoxy]phenyl]hex-4-ynoic acid
CID 90133163
3-[4-[(4-fluoro-2-methylphenyl)-(1H-indol-6-yl)methoxy]phenyl]propanoic acid
CID 90133192
4-[2,6-difluoro-4-(1H-indol-6-yl)phenoxy]butanoic acid
CID 121447347
ethyl 4-[2,6-difluoro-4-(1H-indol-6-yl)phenoxy]butanoate
CID 132051938
8,9-difluoro-7-[6-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole
CID 134481507

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid (CID 134489253) is 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid is O=C(O)C1CC(Oc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C1.
What is the InChIKey of 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
The InChIKey is YAMWDNFNGROFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-21(26)14-7-15(8-14)27-20-4-2-13(10-23-20)12-1-3-16-17-11-22-6-5-18(17)24-19(16)9-12/h1-6,9-11,14-15,24H,7-8H2,(H,25,26).
What are the key properties of 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 134489253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).