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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C48H48N14O5 — CID 158002881

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 158002881) has the molecular formula C48H48N14O5 and a molecular weight of 901.00 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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
• PubChem CID: 158002881
• Molecular Formula: C48H48N14O5
• Molecular Weight: 901.00 g/mol
• Exact Mass: 900.39
• 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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
• SMILES: O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CC=N2)C1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.c1cc2n(c1)CCNC2
• InChI: InChI=1S/C24H23N7O2.C17H15N5O3.C7H10N2/c32-22(31-8-6-20-17(14-31)5-7-25-20)11-21-29-30-23(33-21)18-12-26-24(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;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;1-2-7-6-8-3-5-9(7)4-1/h1-4,7,12-13,19H,5-6,8-11,14H2,(H,26,27,28);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);1-2,4,8H,3,5-6H2
• InChIKey: FDYDKJLXODCFPN-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 240.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.00
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 158002881) 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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCC2=C(CC=N2)C1.O=C(O)Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1.c1cc2n(c1)CCNC2.

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?

The InChIKey is FDYDKJLXODCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2.C17H15N5O3.C7H10N2/c32-22(31-8-6-20-17(14-31)5-7-25-20)11-21-29-30-23(33-21)18-12-26-24(27-13-18)28-19-9-15-3-1-2-4-16(15)10-19;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;1-2-7-6-8-3-5-9(7)4-1/h1-4,7,12-13,19H,5-6,8-11,14H2,(H,26,27,28);1-4,8-9,13H,5-7H2,(H,23,24)(H,18,19,20);1-2,4,8H,3,5-6H2.

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?

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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 901.00 g/mol, XLogP of 4.93, 10 rotatable bonds, 4 hydrogen bond donors, and 17 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-(3,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 158002881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).