cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone

C24H26N8O2 — CID 129246101

IUPACcyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCc1nnc(-c2ccc3nc(Nc4ncccc4CN4CCN(C(=O)C5CC5)CC4)[nH]c3c2)o1
InChIInChI=1S/C24H26N8O2/c1-15-29-30-22(34-15)17-6-7-19-20(13-17)27-24(26-19)28-21-18(3-2-8-25-21)14-31-9-11-32(12-10-31)23(33)16-4-5-16/h2-3,6-8,13,16H,4-5,9-12,14H2,1H3,(H2,25,26,27,28)
InChIKeyNMWOSXBNSGMTDL-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.11
Rot. Bonds6

About cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 129246101) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone
PubChem CID129246101
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Namecyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCc1nnc(-c2ccc3nc(Nc4ncccc4CN4CCN(C(=O)C5CC5)CC4)[nH]c3c2)o1
InChIInChI=1S/C24H26N8O2/c1-15-29-30-22(34-15)17-6-7-19-20(13-17)27-24(26-19)28-21-18(3-2-8-25-21)14-31-9-11-32(12-10-31)23(33)16-4-5-16/h2-3,6-8,13,16H,4-5,9-12,14H2,1H3,(H2,25,26,27,28)
InChIKeyNMWOSXBNSGMTDL-UHFFFAOYSA-N
XLogP3.11
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone (CID 129246101) is cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone is Cc1nnc(-c2ccc3nc(Nc4ncccc4CN4CCN(C(=O)C5CC5)CC4)[nH]c3c2)o1.
What is the InChIKey of cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone?
The InChIKey is NMWOSXBNSGMTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-15-29-30-22(34-15)17-6-7-19-20(13-17)27-24(26-19)28-21-18(3-2-8-25-21)14-31-9-11-32(12-10-31)23(33)16-4-5-16/h2-3,6-8,13,16H,4-5,9-12,14H2,1H3,(H2,25,26,27,28).
What are the key properties of cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 458.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[2-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]amino]-3-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129246101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).