2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine

C24H21F3N4O — CID 170762389

IUPAC2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)c1cccc(-c2c(-c3ccncc3OC[C@@H]3CCCN3)[nH]c3cccnc23)c1
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)16-5-1-4-15(12-16)21-22(31-19-7-3-10-30-23(19)21)18-8-11-28-13-20(18)32-14-17-6-2-9-29-17/h1,3-5,7-8,10-13,17,29,31H,2,6,9,14H2/t17-/m0/s1
InChIKeyGDDMVVSATCLXRK-KRWDZBQOSA-N
MW438.45 g/mol
LogP5.44
Rot. Bonds5

About 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine

2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 170762389) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID170762389
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)c1cccc(-c2c(-c3ccncc3OC[C@@H]3CCCN3)[nH]c3cccnc23)c1
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)16-5-1-4-15(12-16)21-22(31-19-7-3-10-30-23(19)21)18-8-11-28-13-20(18)32-14-17-6-2-9-29-17/h1,3-5,7-8,10-13,17,29,31H,2,6,9,14H2/t17-/m0/s1
InChIKeyGDDMVVSATCLXRK-KRWDZBQOSA-N
XLogP5.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 170762206
2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine
CID 170762541
N-methyl-N-[2-[[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]prop-2-enamide
CID 170762251
tert-butyl (2S)-2-[[4-[3-(3-ethynylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 170762584
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
tert-butyl (2S)-2-[[4-[3-(5-chloro-2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 170762552
tert-butyl (2S)-2-[[4-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-3-pyridinyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
CID 170762464
1-[(3R)-3-[[4-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 170762149
4-fluoro-3-[2-[3-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-3-yl]benzonitrile
CID 170762237
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine (CID 170762389) is 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine is FC(F)(F)c1cccc(-c2c(-c3ccncc3OC[C@@H]3CCCN3)[nH]c3cccnc23)c1.
What is the InChIKey of 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is GDDMVVSATCLXRK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H21F3N4O/c25-24(26,27)16-5-1-4-15(12-16)21-22(31-19-7-3-10-30-23(19)21)18-8-11-28-13-20(18)32-14-17-6-2-9-29-17/h1,3-5,7-8,10-13,17,29,31H,2,6,9,14H2/t17-/m0/s1.
What are the key properties of 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 438.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 170762389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).