4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

C24H23FN4O — CID 90411752

IUPAC4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(Cc4cccnc4)C3)cc12
InChIInChI=1S/C24H23FN4O/c1-30-23-5-4-18(25)11-20(23)19-6-9-27-24-21(19)12-22(28-24)17-7-10-29(15-17)14-16-3-2-8-26-13-16/h2-6,8-9,11-13,17H,7,10,14-15H2,1H3,(H,27,28)
InChIKeyHATMRDUPPAWOII-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.76
Rot. Bonds5

About 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90411752) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID90411752
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(Cc4cccnc4)C3)cc12
InChIInChI=1S/C24H23FN4O/c1-30-23-5-4-18(25)11-20(23)19-6-9-27-24-21(19)12-22(28-24)17-7-10-29(15-17)14-16-3-2-8-26-13-16/h2-6,8-9,11-13,17H,7,10,14-15H2,1H3,(H,27,28)
InChIKeyHATMRDUPPAWOII-UHFFFAOYSA-N
XLogP4.76
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 90411752) is 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(Cc4cccnc4)C3)cc12.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HATMRDUPPAWOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-30-23-5-4-18(25)11-20(23)19-6-9-27-24-21(19)12-22(28-24)17-7-10-29(15-17)14-16-3-2-8-26-13-16/h2-6,8-9,11-13,17H,7,10,14-15H2,1H3,(H,27,28).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 402.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90411752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).