3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one

C26H28N6O3 — CID 157042249

IUPAC3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C3CC3)cn(CC3CCOC3)c2=O)nc2ccc(Oc3ccnc(N)c3)cc21
InChIInChI=1S/C26H28N6O3/c1-31-23-11-19(35-20-6-8-28-24(27)12-20)4-5-21(23)29-26(31)30-22-10-18(17-2-3-17)14-32(25(22)33)13-16-7-9-34-15-16/h4-6,8,10-12,14,16-17H,2-3,7,9,13,15H2,1H3,(H2,27,28)(H,29,30)
InChIKeyXFVQIIOBTRNFAT-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.16
Rot. Bonds7

About 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one

3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one (PubChem CID 157042249) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
PubChem CID157042249
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C3CC3)cn(CC3CCOC3)c2=O)nc2ccc(Oc3ccnc(N)c3)cc21
InChIInChI=1S/C26H28N6O3/c1-31-23-11-19(35-20-6-8-28-24(27)12-20)4-5-21(23)29-26(31)30-22-10-18(17-2-3-17)14-32(25(22)33)13-16-7-9-34-15-16/h4-6,8,10-12,14,16-17H,2-3,7,9,13,15H2,1H3,(H2,27,28)(H,29,30)
InChIKeyXFVQIIOBTRNFAT-UHFFFAOYSA-N
XLogP4.16
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one with MolForge

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Related Compounds

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
N-[4-[2-[[5-cyclopropyl-2-oxo-1-[(2-phenylmethoxycyclopentyl)methyl]-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157042156
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
5-cyclopropyl-3-[[3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]imidazo[4,5-b]pyridin-2-yl]amino]-1-(oxan-3-yl)pyridin-2-one
CID 167570552
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
6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-(hydroperoxymethyl)pyrazol-3-yl]-1-methylbenzimidazol-2-amine
CID 157041590
N-[(1Z,3E)-3-[2-[[5-cyclopropyl-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-1-(methylideneamino)penta-1,3-dienyl]acetamide
CID 167272603
5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
CID 69290969
1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one;5-cyclopropyl-3-[[3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]imidazo[4,5-b]pyridin-2-yl]amino]-1-(oxan-3-yl)pyridin-2-one;[5-cyclopropyl-1-(oxan-3-yl)-2-oxo-3-pyridinyl] thiocyanate;methane
CID 167694272
5-[(2-amino-4-pyridinyl)oxy]-2-[[5-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-3-methylbenzimidazole-4-carbonitrile
CID 157042133
5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one
CID 170055092
N-[4-[2-[[5-(azetidin-1-yl)-2-oxo-1-propan-2-yl-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157041917

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one (CID 157042249) is 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one is Cn1c(Nc2cc(C3CC3)cn(CC3CCOC3)c2=O)nc2ccc(Oc3ccnc(N)c3)cc21.
What is the InChIKey of 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
The InChIKey is XFVQIIOBTRNFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-31-23-11-19(35-20-6-8-28-24(27)12-20)4-5-21(23)29-26(31)30-22-10-18(17-2-3-17)14-32(25(22)33)13-16-7-9-34-15-16/h4-6,8,10-12,14,16-17H,2-3,7,9,13,15H2,1H3,(H2,27,28)(H,29,30).
What are the key properties of 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one?
3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one has a molecular weight of 472.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 157042249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).