(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

C18H16FN3O — CID 155512824

IUPAC(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C18H16FN3O/c19-14-5-3-12(4-6-14)18(23)22-9-7-13(11-22)16-10-17-15(21-16)2-1-8-20-17/h1-6,8,10,13,21H,7,9,11H2
InChIKeyXMRUOKPXQOSQOH-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.33
Rot. Bonds2

About (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 155512824) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID155512824
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C18H16FN3O/c19-14-5-3-12(4-6-14)18(23)22-9-7-13(11-22)16-10-17-15(21-16)2-1-8-20-17/h1-6,8,10,13,21H,7,9,11H2
InChIKeyXMRUOKPXQOSQOH-UHFFFAOYSA-N
XLogP3.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(2,3-dimethoxyphenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236393
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155533168
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
(4-methoxy-1-methylindol-2-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236417
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95850835
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92571713

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 155512824) is (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(c2cc3ncccc3[nH]2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XMRUOKPXQOSQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-14-5-3-12(4-6-14)18(23)22-9-7-13(11-22)16-10-17-15(21-16)2-1-8-20-17/h1-6,8,10,13,21H,7,9,11H2.
What are the key properties of (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 309.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155512824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).