3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol

C20H18FN3O2 — CID 67383486

IUPAC3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol
SMILESCN(C)c1cc2c(cn1)Oc1ccc(-c3cccnc3F)cc1C2(C)O
InChIInChI=1S/C20H18FN3O2/c1-20(25)14-9-12(13-5-4-8-22-19(13)21)6-7-16(14)26-17-11-23-18(24(2)3)10-15(17)20/h4-11,25H,1-3H3
InChIKeyGFERETBNXHOHNY-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.71
Rot. Bonds2

About 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol

3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol (PubChem CID 67383486) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol.

Molecular Properties

Compound Name3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol
PubChem CID67383486
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol
SMILESCN(C)c1cc2c(cn1)Oc1ccc(-c3cccnc3F)cc1C2(C)O
InChIInChI=1S/C20H18FN3O2/c1-20(25)14-9-12(13-5-4-8-22-19(13)21)6-7-16(14)26-17-11-23-18(24(2)3)10-15(17)20/h4-11,25H,1-3H3
InChIKeyGFERETBNXHOHNY-UHFFFAOYSA-N
XLogP3.71
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-e][1,3]oxazine]-2'-amine
CID 56654479
(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
3-chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-d][1,3]oxazine]-2'-amine
CID 87127198
7'-(2-fluoro-3-pyridinyl)-3'-(oxan-4-yl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67383033
3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241023
(5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,5'-pyrrole]-2'-amine
CID 141352076
(6S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[2,3-dihydro-1,4-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67382987
7-(2,2-dimethylpropoxy)-5-methyl-3-pyridin-3-ylchromeno[2,3-c]pyridin-5-ol
CID 67241285
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-pyrimidin-2-ylspiro[5H-1,3-thiazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466117
(5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
CID 56654138
(2R)-2'-(2-fluoro-3-pyridinyl)-7'-(2-fluoro-4-pyridinyl)spiro[morpholine-6,9'-xanthene]-2-amine
CID 67382799
(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 58376896

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol?
The IUPAC name of 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol (CID 67383486) is 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol.
What is the SMILES notation for 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol?
The canonical SMILES for 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol is CN(C)c1cc2c(cn1)Oc1ccc(-c3cccnc3F)cc1C2(C)O.
What is the InChIKey of 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol?
The InChIKey is GFERETBNXHOHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-20(25)14-9-12(13-5-4-8-22-19(13)21)6-7-16(14)26-17-11-23-18(24(2)3)10-15(17)20/h4-11,25H,1-3H3.
What are the key properties of 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol?
3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol has a molecular weight of 351.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-7-(2-fluoro-3-pyridinyl)-5-methylchromeno[2,3-c]pyridin-5-ol is sourced from PubChem (CID 67383486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).