1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

C24H28N6O2 — CID 167545220

IUPAC1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2)ccn1
InChIInChI=1S/C24H28N6O2/c1-15(31)11-16-12-18(9-10-25-16)32-17-7-8-19-20(13-17)29(5)23(26-19)27-22-14-21(24(2,3)4)28-30(22)6/h7-10,12-14H,11H2,1-6H3,(H,26,27)
InChIKeyRKCYURAKYOGCIF-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.67
Rot. Bonds6

About 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 167545220) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
PubChem CID167545220
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2)ccn1
InChIInChI=1S/C24H28N6O2/c1-15(31)11-16-12-18(9-10-25-16)32-17-7-8-19-20(13-17)29(5)23(26-19)27-22-14-21(24(2,3)4)28-30(22)6/h7-10,12-14H,11H2,1-6H3,(H,26,27)
InChIKeyRKCYURAKYOGCIF-UHFFFAOYSA-N
XLogP4.67
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167577306
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
CID 167558794
1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 159742313
1-[4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158851241
N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 166834017
1-(1,4-dioxan-2-ylmethyl)-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)pyridin-2-one
CID 167541040
methyl 2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 162200780
1-[4-[2-[[5-tert-butyl-1-[(7S)-5-oxaspiro[2.4]heptan-7-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
CID 167599267
6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-(hydroperoxymethyl)pyrazol-3-yl]-1-methylbenzimidazol-2-amine
CID 157041590
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (CID 167545220) is 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C(C)(C)C)nn4C)n(C)c3c2)ccn1.
What is the InChIKey of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The InChIKey is RKCYURAKYOGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15(31)11-16-12-18(9-10-25-16)32-17-7-8-19-20(13-17)29(5)23(26-19)27-22-14-21(24(2,3)4)28-30(22)6/h7-10,12-14H,11H2,1-6H3,(H,26,27).
What are the key properties of 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 432.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167545220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).