1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one

C24H27N7O2 — CID 110097601

IUPAC1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCc1cc(Nc2cccc(C3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)n2)n[nH]1
InChIInChI=1S/C24H27N7O2/c1-16-14-22(28-27-16)26-21-9-5-6-18(25-21)17-10-12-30(13-11-17)23(32)15-31-20-8-4-3-7-19(20)29(2)24(31)33/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26,27,28)
InChIKeyZODJVYJKQHDVIG-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.92
Rot. Bonds5

About 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one

1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one (PubChem CID 110097601) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
PubChem CID110097601
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESCc1cc(Nc2cccc(C3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)n2)n[nH]1
InChIInChI=1S/C24H27N7O2/c1-16-14-22(28-27-16)26-21-9-5-6-18(25-21)17-10-12-30(13-11-17)23(32)15-31-20-8-4-3-7-19(20)29(2)24(31)33/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26,27,28)
InChIKeyZODJVYJKQHDVIG-UHFFFAOYSA-N
XLogP2.92
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one (CID 110097601) is 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one is Cc1cc(Nc2cccc(C3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)n2)n[nH]1.
What is the InChIKey of 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The InChIKey is ZODJVYJKQHDVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-16-14-22(28-27-16)26-21-9-5-6-18(25-21)17-10-12-30(13-11-17)23(32)15-31-20-8-4-3-7-19(20)29(2)24(31)33/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one?
1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one has a molecular weight of 445.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 110097601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).