[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol

C22H18F3N3O3 — CID 118714140

IUPAC[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(OC(F)(F)F)c3)c3ncccc23)cn1
InChIInChI=1S/C22H18F3N3O3/c1-30-19-8-7-15(11-27-19)20-17-6-3-9-26-21(17)28(18(20)13-29)12-14-4-2-5-16(10-14)31-22(23,24)25/h2-11,29H,12-13H2,1H3
InChIKeyRRHHJYRJNQVUOX-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.55
Rot. Bonds6

About [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol

[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 118714140) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID118714140
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(OC(F)(F)F)c3)c3ncccc23)cn1
InChIInChI=1S/C22H18F3N3O3/c1-30-19-8-7-15(11-27-19)20-17-6-3-9-26-21(17)28(18(20)13-29)12-14-4-2-5-16(10-14)31-22(23,24)25/h2-11,29H,12-13H2,1H3
InChIKeyRRHHJYRJNQVUOX-UHFFFAOYSA-N
XLogP4.55
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol with MolForge

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Related Compounds

Cgp-77675
CID 5311381
Rwj-68354
CID 9819053
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
CID 59593266
3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 18792861
3-[4-Amino-7-[4-[2-(2-hydroxyethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 44565861
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
2-(3-Methoxy-4-pyridin-2-ylphenyl)imidazo(1,2-a)pyridine
CID 10380127
1-[(4-Propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol
CID 92580325
2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682
(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
2-{4-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethanol
CID 3240281

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol (CID 118714140) is [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3cccc(OC(F)(F)F)c3)c3ncccc23)cn1.
What is the InChIKey of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is RRHHJYRJNQVUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c1-30-19-8-7-15(11-27-19)20-17-6-3-9-26-21(17)28(18(20)13-29)12-14-4-2-5-16(10-14)31-22(23,24)25/h2-11,29H,12-13H2,1H3.
What are the key properties of [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol?
[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 429.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 118714140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).