6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C25H23N7O3 — CID 156907422

IUPAC6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=C1C=CC2CN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)CCC2=N1
InChIInChI=1S/C25H23N7O3/c33-21-6-5-17-14-32(8-7-20(17)29-21)23(34)11-22-30-31-24(35-22)18-12-26-25(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19/h1-6,12-13,17,19H,7-11,14H2,(H,26,27,28)
InChIKeyVRKIAHSQBMILGK-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.03
Rot. Bonds5

About 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one

6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 156907422) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID156907422
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=C1C=CC2CN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)CCC2=N1
InChIInChI=1S/C25H23N7O3/c33-21-6-5-17-14-32(8-7-20(17)29-21)23(34)11-22-30-31-24(35-22)18-12-26-25(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19/h1-6,12-13,17,19H,7-11,14H2,(H,26,27,28)
InChIKeyVRKIAHSQBMILGK-UHFFFAOYSA-N
XLogP2.03
TPSA126.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 156907422) is 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one is O=C1C=CC2CN(C(=O)Cc3nnc(-c4cnc(NC5Cc6ccccc6C5)nc4)o3)CCC2=N1.
What is the InChIKey of 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is VRKIAHSQBMILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c33-21-6-5-17-14-32(8-7-20(17)29-21)23(34)11-22-30-31-24(35-22)18-12-26-25(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19/h1-6,12-13,17,19H,7-11,14H2,(H,26,27,28).
What are the key properties of 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 469.51 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetyl]-4a,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 156907422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).