cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone

C26H30N8O — CID 129261778

IUPACcyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
SMILESCC(c1ccnc(Nc2nc3ccc(-c4ccnn4C)cc3[nH]2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H30N8O/c1-17(33-11-13-34(14-12-33)25(35)18-3-4-18)19-7-9-27-24(16-19)31-26-29-21-6-5-20(15-22(21)30-26)23-8-10-28-32(23)2/h5-10,15-18H,3-4,11-14H2,1-2H3,(H2,27,29,30,31)
InChIKeyFZKAZTDPCCPKGC-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.72
Rot. Bonds6

About cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone

cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone (PubChem CID 129261778) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
PubChem CID129261778
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Namecyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
SMILESCC(c1ccnc(Nc2nc3ccc(-c4ccnn4C)cc3[nH]2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H30N8O/c1-17(33-11-13-34(14-12-33)25(35)18-3-4-18)19-7-9-27-24(16-19)31-26-29-21-6-5-20(15-22(21)30-26)23-8-10-28-32(23)2/h5-10,15-18H,3-4,11-14H2,1-2H3,(H2,27,29,30,31)
InChIKeyFZKAZTDPCCPKGC-UHFFFAOYSA-N
XLogP3.72
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone (CID 129261778) is cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone is CC(c1ccnc(Nc2nc3ccc(-c4ccnn4C)cc3[nH]2)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
The InChIKey is FZKAZTDPCCPKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-17(33-11-13-34(14-12-33)25(35)18-3-4-18)19-7-9-27-24(16-19)31-26-29-21-6-5-20(15-22(21)30-26)23-8-10-28-32(23)2/h5-10,15-18H,3-4,11-14H2,1-2H3,(H2,27,29,30,31).
What are the key properties of cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone has a molecular weight of 470.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-[2-[[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129261778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).