4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one

C25H25F3N4O3 — CID 163288210

IUPAC4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3c2[nH]c(=O)n3C(C)C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N4O3/c1-16(25(26,27)28)32-21-12-13-29-23(22(21)30-24(32)33)31(14-17-4-8-19(34-2)9-5-17)15-18-6-10-20(35-3)11-7-18/h4-13,16H,14-15H2,1-3H3,(H,30,33)
InChIKeyXQXNUVKTIOOYNU-UHFFFAOYSA-N
MW486.49 g/mol
LogP5.07
Rot. Bonds8

About 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one

4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 163288210) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID163288210
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3c2[nH]c(=O)n3C(C)C(F)(F)F)cc1
InChIInChI=1S/C25H25F3N4O3/c1-16(25(26,27)28)32-21-12-13-29-23(22(21)30-24(32)33)31(14-17-4-8-19(34-2)9-5-17)15-18-6-10-20(35-3)11-7-18/h4-13,16H,14-15H2,1-3H3,(H,30,33)
InChIKeyXQXNUVKTIOOYNU-UHFFFAOYSA-N
XLogP5.07
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]-3-prop-1-en-2-ylpyrazin-2-amine
CID 175757168
(S)-N-[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]-4,4,4-trifluorobutyl]-2-methylpropane-2-sulfinamide
CID 176664287
N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 139349366
2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol
CID 165405809
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
CID 146236231
(NZ,R)-N-[1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
CID 178027392
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 164907964
7-bromo-N,N-bis[(4-methoxyphenyl)methyl]-2-(2-methylpropoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 157021961
2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777750
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241

Frequently Asked Questions

What is the IUPAC name of 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one (CID 163288210) is 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one is COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3c2[nH]c(=O)n3C(C)C(F)(F)F)cc1.
What is the InChIKey of 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is XQXNUVKTIOOYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-16(25(26,27)28)32-21-12-13-29-23(22(21)30-24(32)33)31(14-17-4-8-19(34-2)9-5-17)15-18-6-10-20(35-3)11-7-18/h4-13,16H,14-15H2,1-3H3,(H,30,33).
What are the key properties of 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 486.49 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[(4-methoxyphenyl)methyl]amino]-1-(1,1,1-trifluoropropan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163288210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).