1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride

C55H55ClN16O6 — CID 159464789

About 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride

1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride (PubChem CID 159464789) has the molecular formula C55H55ClN16O6 and a molecular weight of 1071.60 g/mol. Its IUPAC name is 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride
• PubChem CID: 159464789
• Molecular Formula: C55H55ClN16O6
• Molecular Weight: 1071.60 g/mol
• Exact Mass: 1070.42
• IUPAC Name: 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride
• SMILES: Cl.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O=C(CO)c1ccc(C2=NC(CC(=O)N3CCc4n[nH]nc4C3)N=C2c2cnc(NC3Cc4ccccc4C3)nc2)cc1
• InChI: InChI=1S/C31H29N9O3.C24H25N7O3.ClH/c41-17-26(42)18-5-7-19(8-6-18)29-30(36-27(35-29)13-28(43)40-10-9-24-25(16-40)38-39-37-24)22-14-32-31(33-15-22)34-23-11-20-3-1-2-4-21(20)12-23;25-12-20(32)15-5-7-31(8-6-15)22(33)11-21-29-30-23(34-21)18-13-26-24(27-14-18)28-19-9-16-3-1-2-4-17(16)10-19;/h1-8,14-15,23,27,41H,9-13,16-17H2,(H,32,33,34)(H,37,38,39);1-5,13-14,19H,6-12,25H2,(H,26,27,28);1H
• InChIKey: NERDNLSBGGFSDM-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 301.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.60
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride?

The IUPAC name of 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride (CID 159464789) is 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride.

What is the SMILES notation for 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride?

The canonical SMILES for 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride is Cl.NCC(=O)C1=CCN(C(=O)Cc2nnc(-c3cnc(NC4Cc5ccccc5C4)nc3)o2)CC1.O=C(CO)c1ccc(C2=NC(CC(=O)N3CCc4n[nH]nc4C3)N=C2c2cnc(NC3Cc4ccccc4C3)nc2)cc1.

What is the InChIKey of 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride?

The InChIKey is NERDNLSBGGFSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N9O3.C24H25N7O3.ClH/c41-17-26(42)18-5-7-19(8-6-18)29-30(36-27(35-29)13-28(43)40-10-9-24-25(16-40)38-39-37-24)22-14-32-31(33-15-22)34-23-11-20-3-1-2-4-21(20)12-23;25-12-20(32)15-5-7-31(8-6-15)22(33)11-21-29-30-23(34-21)18-13-26-24(27-14-18)28-19-9-16-3-1-2-4-17(16)10-19;/h1-8,14-15,23,27,41H,9-13,16-17H2,(H,32,33,34)(H,37,38,39);1-5,13-14,19H,6-12,25H2,(H,26,27,28);1H.

What are the key properties of 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride?

1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride has a molecular weight of 1071.60 g/mol, XLogP of 3.70, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-[4-(2-hydroxyacetyl)phenyl]-2H-imidazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 159464789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).