3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C24H26Cl2N10O3 — CID 58447366

About 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 58447366) has the molecular formula C24H26Cl2N10O3 and a molecular weight of 573.45 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• PubChem CID: 58447366
• Molecular Formula: C24H26Cl2N10O3
• Molecular Weight: 573.45 g/mol
• Exact Mass: 572.16
• IUPAC Name: 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• SMILES: Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl
• InChI: InChI=1S/C24H26Cl2N10O3/c25-14-6-4-13(5-7-14)21-30-15(39-35-21)2-1-3-16(37)36-10-8-24(9-11-36)12-29-23(34-24)33-22(38)17-19(27)32-20(28)18(26)31-17/h4-7H,1-3,8-12H2,(H4,27,28,32)(H2,29,33,34,38)
• InChIKey: QYLILHFGNIFTPR-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 190.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.45
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 58447366) is 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl.

What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The InChIKey is QYLILHFGNIFTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N10O3/c25-14-6-4-13(5-7-14)21-30-15(39-35-21)2-1-3-16(37)36-10-8-24(9-11-36)12-29-23(34-24)33-22(38)17-19(27)32-20(28)18(26)31-17/h4-7H,1-3,8-12H2,(H4,27,28,32)(H2,29,33,34,38).

What are the key properties of 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 573.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58447366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).