2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride

C110H136Cl2N34O9 — CID 160828448

About 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride

2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride (PubChem CID 160828448) has the molecular formula C110H136Cl2N34O9 and a molecular weight of 2149.43 g/mol. Its IUPAC name is 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride.

Molecular Properties

• Compound Name: 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride
• PubChem CID: 160828448
• Molecular Formula: C110H136Cl2N34O9
• Molecular Weight: 2149.43 g/mol
• Exact Mass: 2147.06
• IUPAC Name: 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride
• SMILES: C1=NCC2=C1CCNC2.CN(C)/C=C1/C(=O)CCCN1C.CN(C)/C=C1\CCN(C)CC1=O.CN1CCC2=C(CN=C2)C1.CN1CCCc2[nH]ncc21.Cl.Cl.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CN=C2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCCc2[nH]ncc21.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.c1n[nH]c2c1NCCC2
• InChI: InChI=1S/C24H23N7O2.C23H22N8O2.C17H15N5O3.2C9H16N2O.C8H12N2.C7H11N3.C7H10N2.C6H9N3.2ClH/c32-22(31-6-5-17-10-25-11-19(17)14-31)9-21-29-30-23(33-21)18-12-26-24(27-13-18)28-20-7-15-3-1-2-4-16(15)8-20;32-21(31-7-3-6-18-19(31)13-26-28-18)10-20-29-30-22(33-20)16-11-24-23(25-12-16)27-17-8-14-4-1-2-5-15(14)9-17;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-10(2)6-8-4-5-11(3)7-9(8)12;1-10(2)7-8-9(12)5-4-6-11(8)3;1-10-3-2-7-4-9-5-8(7)6-10;1-10-4-2-3-6-7(10)5-8-9-6;1-2-8-4-7-5-9-3-6(1)7;1-2-5-6(7-3-1)4-8-9-5;;/h1-4,10,12-13,20H,5-9,11,14H2,(H,26,27,28);1-2,4-5,11-13,17H,3,6-10H2,(H,26,28)(H,24,25,27);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;4H,2-3,5-6H2,1H3;5H,2-4H2,1H3,(H,8,9);3,8H,1-2,4-5H2;4,7H,1-3H2,(H,8,9);2*1H/b;;;8-6+;8-7-
• InChIKey: IYKGQCZUMDXUCO-RRGRJHCNSA-N
• XLogP: 10.83
• TPSA: 508.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.43
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride?

The IUPAC name of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride (CID 160828448) is 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride.

What is the SMILES notation for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride?

The canonical SMILES for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride is C1=NCC2=C1CCNC2.CN(C)/C=C1/C(=O)CCCN1C.CN(C)/C=C1\CCN(C)CC1=O.CN1CCC2=C(CN=C2)C1.CN1CCCc2[nH]ncc21.Cl.Cl.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CN=C2)C1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCCc2[nH]ncc21.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.c1n[nH]c2c1NCCC2.

What is the InChIKey of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride?

The InChIKey is IYKGQCZUMDXUCO-RRGRJHCNSA-N. The full InChI is InChI=1S/C24H23N7O2.C23H22N8O2.C17H15N5O3.2C9H16N2O.C8H12N2.C7H11N3.C7H10N2.C6H9N3.2ClH/c32-22(31-6-5-17-10-25-11-19(17)14-31)9-21-29-30-23(33-21)18-12-26-24(27-13-18)28-20-7-15-3-1-2-4-16(15)8-20;32-21(31-7-3-6-18-19(31)13-26-28-18)10-20-29-30-22(33-20)16-11-24-23(25-12-16)27-17-8-14-4-1-2-5-15(14)9-17;23-15(24)7-14-21-22-16(25-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;1-10(2)6-8-4-5-11(3)7-9(8)12;1-10(2)7-8-9(12)5-4-6-11(8)3;1-10-3-2-7-4-9-5-8(7)6-10;1-10-4-2-3-6-7(10)5-8-9-6;1-2-8-4-7-5-9-3-6(1)7;1-2-5-6(7-3-1)4-8-9-5;;/h1-4,10,12-13,20H,5-9,11,14H2,(H,26,27,28);1-2,4-5,11-13,17H,3,6-10H2,(H,26,28)(H,24,25,27);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;4H,2-3,5-6H2,1H3;5H,2-4H2,1H3,(H,8,9);3,8H,1-2,4-5H2;4,7H,1-3H2,(H,8,9);2*1H/b;;;8-6+;8-7-;;;;;;.

What are the key properties of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride?

2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride has a molecular weight of 2149.43 g/mol, XLogP of 10.83, 17 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone;2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(3,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;(2Z)-2-(dimethylaminomethylidene)-1-methylpiperidin-3-one;(4E)-4-(dimethylaminomethylidene)-1-methylpiperidin-3-one;4-methyl-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;5-methyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;dihydrochloride is sourced from PubChem (CID 160828448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).