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

C23H21FN4O — CID 170762541

IUPAC2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine
SMILESF[C@@H]1CN[C@H](COc2cnccc2-c2[nH]c3cccnc3c2-c2ccccc2)C1
InChIInChI=1S/C23H21FN4O/c24-16-11-17(27-12-16)14-29-20-13-25-10-8-18(20)22-21(15-5-2-1-3-6-15)23-19(28-22)7-4-9-26-23/h1-10,13,16-17,27-28H,11-12,14H2/t16-,17-/m0/s1
InChIKeyNZOOBYGKEPIXFE-IRXDYDNUSA-N
MW388.45 g/mol
LogP4.37
Rot. Bonds5

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

2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 170762541) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID170762541
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine
SMILESF[C@@H]1CN[C@H](COc2cnccc2-c2[nH]c3cccnc3c2-c2ccccc2)C1
InChIInChI=1S/C23H21FN4O/c24-16-11-17(27-12-16)14-29-20-13-25-10-8-18(20)22-21(15-5-2-1-3-6-15)23-19(28-22)7-4-9-26-23/h1-10,13,16-17,27-28H,11-12,14H2/t16-,17-/m0/s1
InChIKeyNZOOBYGKEPIXFE-IRXDYDNUSA-N
XLogP4.37
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine (CID 170762541) is 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine is F[C@@H]1CN[C@H](COc2cnccc2-c2[nH]c3cccnc3c2-c2ccccc2)C1.
What is the InChIKey of 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is NZOOBYGKEPIXFE-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-16-11-17(27-12-16)14-29-20-13-25-10-8-18(20)22-21(15-5-2-1-3-6-15)23-19(28-22)7-4-9-26-23/h1-10,13,16-17,27-28H,11-12,14H2/t16-,17-/m0/s1.
What are the key properties of 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine?
2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 388.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 170762541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).