5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one

C23H22N8O3 — CID 156907423

IUPAC5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one
SMILESO=C1N=C2CN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)CCC2N1
InChIInChI=1S/C23H22N8O3/c32-20(31-6-5-17-18(12-31)28-23(33)27-17)9-19-29-30-21(34-19)15-10-24-22(25-11-15)26-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16-17H,5-9,12H2,(H,27,33)(H,24,25,26)
InChIKeyGZRFYQZYMYADRM-UHFFFAOYSA-N
MW458.48 g/mol
LogP1.41
Rot. Bonds5

About 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one

5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 156907423) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID156907423
Molecular FormulaC23H22N8O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one
SMILESO=C1N=C2CN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)CCC2N1
InChIInChI=1S/C23H22N8O3/c32-20(31-6-5-17-18(12-31)28-23(33)27-17)9-19-29-30-21(34-19)15-10-24-22(25-11-15)26-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16-17H,5-9,12H2,(H,27,33)(H,24,25,26)
InChIKeyGZRFYQZYMYADRM-UHFFFAOYSA-N
XLogP1.41
TPSA138.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one (CID 156907423) is 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one is O=C1N=C2CN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)CCC2N1.
What is the InChIKey of 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is GZRFYQZYMYADRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3/c32-20(31-6-5-17-18(12-31)28-23(33)27-17)9-19-29-30-21(34-19)15-10-24-22(25-11-15)26-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16-17H,5-9,12H2,(H,27,33)(H,24,25,26).
What are the key properties of 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one?
5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 458.48 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 156907423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).