(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one

C14H12N4O — CID 66864917

IUPAC(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SMILESNc1cnc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C14H12N4O/c15-9-4-8-5-14(6-11(8)17-7-9)10-2-1-3-16-12(10)18-13(14)19/h1-4,7H,5-6,15H2,(H,16,18,19)/t14-/m1/s1
InChIKeyQNHKYQQDNVIWRK-CQSZACIVSA-N
MW252.28 g/mol
LogP1.05
Rot. Bonds

About (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one

(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one (PubChem CID 66864917) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one.

Molecular Properties

Compound Name(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
PubChem CID66864917
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SMILESNc1cnc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C14H12N4O/c15-9-4-8-5-14(6-11(8)17-7-9)10-2-1-3-16-12(10)18-13(14)19/h1-4,7H,5-6,15H2,(H,16,18,19)/t14-/m1/s1
InChIKeyQNHKYQQDNVIWRK-CQSZACIVSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 59166722
(3S)-3'-(hydroxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 90064620
(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)azanide;rubidium(1+)
CID 59166744
(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one
CID 175969352
2-methanidylbutane;5-methanidylspiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;tungsten(2+)
CID 58379671
spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
CID 90379626
5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 123788239
(3S)-3'-[2-[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 161324017
N-[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
CID 140670747
1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 70997318

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
The IUPAC name of (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one (CID 66864917) is (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one.
What is the SMILES notation for (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
The canonical SMILES for (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one is Nc1cnc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
The InChIKey is QNHKYQQDNVIWRK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12N4O/c15-9-4-8-5-14(6-11(8)17-7-9)10-2-1-3-16-12(10)18-13(14)19/h1-4,7H,5-6,15H2,(H,16,18,19)/t14-/m1/s1.
What are the key properties of (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one?
(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one has a molecular weight of 252.28 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one is sourced from PubChem (CID 66864917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).