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

C27H32N8O — CID 129261660

IUPACcyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
SMILESCc1cc(-c2ccc3nc(Nc4cc(C(C)N5CCN(C(=O)C6CC6)CC5)ccn4)[nH]c3c2)n(C)n1
InChIInChI=1S/C27H32N8O/c1-17-14-24(33(3)32-17)21-6-7-22-23(15-21)30-27(29-22)31-25-16-20(8-9-28-25)18(2)34-10-12-35(13-11-34)26(36)19-4-5-19/h6-9,14-16,18-19H,4-5,10-13H2,1-3H3,(H2,28,29,30,31)
InChIKeyJURDUROUNKSDGT-UHFFFAOYSA-N
MW484.61 g/mol
LogP4.03
Rot. Bonds6

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

cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone (PubChem CID 129261660) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
PubChem CID129261660
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Namecyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
SMILESCc1cc(-c2ccc3nc(Nc4cc(C(C)N5CCN(C(=O)C6CC6)CC5)ccn4)[nH]c3c2)n(C)n1
InChIInChI=1S/C27H32N8O/c1-17-14-24(33(3)32-17)21-6-7-22-23(15-21)30-27(29-22)31-25-16-20(8-9-28-25)18(2)34-10-12-35(13-11-34)26(36)19-4-5-19/h6-9,14-16,18-19H,4-5,10-13H2,1-3H3,(H2,28,29,30,31)
InChIKeyJURDUROUNKSDGT-UHFFFAOYSA-N
XLogP4.03
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 54.03
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-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone (CID 129261660) is cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-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-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone is Cc1cc(-c2ccc3nc(Nc4cc(C(C)N5CCN(C(=O)C6CC6)CC5)ccn4)[nH]c3c2)n(C)n1.
What is the InChIKey of cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
The InChIKey is JURDUROUNKSDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c1-17-14-24(33(3)32-17)21-6-7-22-23(15-21)30-27(29-22)31-25-16-20(8-9-28-25)18(2)34-10-12-35(13-11-34)26(36)19-4-5-19/h6-9,14-16,18-19H,4-5,10-13H2,1-3H3,(H2,28,29,30,31).
What are the key properties of cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[1-[2-[[6-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone has a molecular weight of 484.61 g/mol, XLogP of 4.03, 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-(2,5-dimethylpyrazol-3-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129261660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).