spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid

C15H13N3O2 — CID 152530269

IUPACspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)CC1(CNc3ncccc31)C2
InChIInChI=1S/C15H13N3O2/c19-14(20)10-4-9-5-15(6-12(9)17-7-10)8-18-13-11(15)2-1-3-16-13/h1-4,7H,5-6,8H2,(H,16,18)(H,19,20)
InChIKeyYJJULUGFICBLGQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.64
Rot. Bonds1

About spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid

spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid (PubChem CID 152530269) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid.

Molecular Properties

Compound Namespiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
PubChem CID152530269
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namespiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)CC1(CNc3ncccc31)C2
InChIInChI=1S/C15H13N3O2/c19-14(20)10-4-9-5-15(6-12(9)17-7-10)8-18-13-11(15)2-1-3-16-13/h1-4,7H,5-6,8H2,(H,16,18)(H,19,20)
InChIKeyYJJULUGFICBLGQ-UHFFFAOYSA-N
XLogP1.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid
CID 175212768
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide
CID 170555134
(3S)-3'-(hydroxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 90064620
(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 66864917
(3S)-3'-iodospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58118681
3'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 123217091
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxylic acid
CID 105445983
6-ethyl-6-(methylcarbamoyl)-5,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 160735641
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 66815672
1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine-7-carboxylic acid
CID 130067287
N-[(6S,8S)-3-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
CID 71565585

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid?
The IUPAC name of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid (CID 152530269) is spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid.
What is the SMILES notation for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid?
The canonical SMILES for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid is O=C(O)c1cnc2c(c1)CC1(CNc3ncccc31)C2.
What is the InChIKey of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid?
The InChIKey is YJJULUGFICBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(20)10-4-9-5-15(6-12(9)17-7-10)8-18-13-11(15)2-1-3-16-13/h1-4,7H,5-6,8H2,(H,16,18)(H,19,20).
What are the key properties of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid?
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid is sourced from PubChem (CID 152530269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).