2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine

C18H17F2N3 — CID 110223643

IUPAC2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(CN2CCCC2c2cc3cccnc3[nH]2)c1F
InChIInChI=1S/C18H17F2N3/c19-14-6-1-4-13(17(14)20)11-23-9-3-7-16(23)15-10-12-5-2-8-21-18(12)22-15/h1-2,4-6,8,10,16H,3,7,9,11H2,(H,21,22)
InChIKeyRYAFKNKRHGIZSS-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.18
Rot. Bonds3

About 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine

2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 110223643) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID110223643
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(CN2CCCC2c2cc3cccnc3[nH]2)c1F
InChIInChI=1S/C18H17F2N3/c19-14-6-1-4-13(17(14)20)11-23-9-3-7-16(23)15-10-12-5-2-8-21-18(12)22-15/h1-2,4-6,8,10,16H,3,7,9,11H2,(H,21,22)
InChIKeyRYAFKNKRHGIZSS-UHFFFAOYSA-N
XLogP4.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92574832
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 89479222
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92572827
2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215993
2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 125023353
4-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808835
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110234470
3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 118741797
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 110223643) is 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(CN2CCCC2c2cc3cccnc3[nH]2)c1F.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RYAFKNKRHGIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c19-14-6-1-4-13(17(14)20)11-23-9-3-7-16(23)15-10-12-5-2-8-21-18(12)22-15/h1-2,4-6,8,10,16H,3,7,9,11H2,(H,21,22).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 313.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 110223643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).