2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone

C100H110N30O7 — CID 160564199

About 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone

2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone (PubChem CID 160564199) has the molecular formula C100H110N30O7 and a molecular weight of 1844.18 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]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone.

Molecular Properties

• Compound Name: 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone
• PubChem CID: 160564199
• Molecular Formula: C100H110N30O7
• Molecular Weight: 1844.18 g/mol
• Exact Mass: 1842.92
• IUPAC Name: 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone
• SMILES: O=C(CN1CCC(c2cnc(NC3Cc4ccccc4C3)nc2)CC1)N1CCC2=C(C1)N=NC2.O=C(CN1CCN(c2cnc(NC3Cc4ccccc4C3)nc2)CC1)N1CCC2=C(C1)N=NC2.O=C(Cc1ccc2[nH]c(=O)oc2c1)CN1CCN(c2cnc(NC3Cc4ccccc4C3)nc2)CC1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1
• InChI: InChI=1S/C27H28N6O3.C26H31N7O.C25H30N8O.C22H21N9O2/c34-23(11-18-5-6-24-25(12-18)36-27(35)31-24)17-32-7-9-33(10-8-32)22-15-28-26(29-16-22)30-21-13-19-3-1-2-4-20(19)14-21;34-25(33-10-7-21-15-29-31-24(21)16-33)17-32-8-5-18(6-9-32)22-13-27-26(28-14-22)30-23-11-19-3-1-2-4-20(19)12-23;34-24(33-6-5-20-13-28-30-23(20)16-33)17-31-7-9-32(10-8-31)22-14-26-25(27-15-22)29-21-11-18-3-1-2-4-19(18)12-21;32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-6,12,15-16,21H,7-11,13-14,17H2,(H,31,35)(H,28,29,30);1-4,13-14,18,23H,5-12,15-17H2,(H,27,28,30);1-4,14-15,21H,5-13,16-17H2,(H,26,27,29);1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30)
• InChIKey: QZSBHPDKKUJLTG-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 421.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1844.18
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

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]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?

The IUPAC name of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone (CID 160564199) is 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone.

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]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?

The canonical SMILES for 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone is O=C(CN1CCC(c2cnc(NC3Cc4ccccc4C3)nc2)CC1)N1CCC2=C(C1)N=NC2.O=C(CN1CCN(c2cnc(NC3Cc4ccccc4C3)nc2)CC1)N1CCC2=C(C1)N=NC2.O=C(Cc1ccc2[nH]c(=O)oc2c1)CN1CCN(c2cnc(NC3Cc4ccccc4C3)nc2)CC1.O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCc2n[nH]nc2C1.

What is the InChIKey of 2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?

The InChIKey is QZSBHPDKKUJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3.C26H31N7O.C25H30N8O.C22H21N9O2/c34-23(11-18-5-6-24-25(12-18)36-27(35)31-24)17-32-7-9-33(10-8-32)22-15-28-26(29-16-22)30-21-13-19-3-1-2-4-20(19)14-21;34-25(33-10-7-21-15-29-31-24(21)16-33)17-32-8-5-18(6-9-32)22-13-27-26(28-14-22)30-23-11-19-3-1-2-4-20(19)12-23;34-24(33-6-5-20-13-28-30-23(20)16-33)17-31-7-9-32(10-8-31)22-14-26-25(27-15-22)29-21-11-18-3-1-2-4-19(18)12-21;32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-6,12,15-16,21H,7-11,13-14,17H2,(H,31,35)(H,28,29,30);1-4,13-14,18,23H,5-12,15-17H2,(H,27,28,30);1-4,14-15,21H,5-13,16-17H2,(H,26,27,29);1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30).

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]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?

2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone has a molecular weight of 1844.18 g/mol, XLogP of 9.09, 22 rotatable bonds, 6 hydrogen bond donors, and 32 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]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;6-[3-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-2-oxopropyl]-3H-1,3-benzoxazol-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperazin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]piperidin-1-yl]-1-(3,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 160564199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).