(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

C25H21FN6O — CID 175965732

IUPAC(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3cccnc3F)nc12
InChIInChI=1S/C25H21FN6O/c1-15-14-33-13-12-32(15)25-22-21(8-7-20(29-22)18-5-3-10-28-23(18)26)30-24(31-25)17-4-2-6-19-16(17)9-11-27-19/h2-11,15,27H,12-14H2,1H3/t15-/m1/s1
InChIKeyGUAJIWGKCYYQOY-OAHLLOKOSA-N
MW440.48 g/mol
LogP4.60
Rot. Bonds3

About (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 175965732) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID175965732
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3cccnc3F)nc12
InChIInChI=1S/C25H21FN6O/c1-15-14-33-13-12-32(15)25-22-21(8-7-20(29-22)18-5-3-10-28-23(18)26)30-24(31-25)17-4-2-6-19-16(17)9-11-27-19/h2-11,15,27H,12-14H2,1H3/t15-/m1/s1
InChIKeyGUAJIWGKCYYQOY-OAHLLOKOSA-N
XLogP4.60
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-[2-(1H-indol-4-yl)-6-(3-methylimidazol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175965702
(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
CID 167270367
(3R)-4-[6-(1H-indol-4-yl)-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269705
(3R)-4-[6-(1H-indol-4-yl)-1-(1-methylsulfonylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269527
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
(3R)-4-[2-(1H-indol-4-yl)-7,7-dimethyl-6-methylsulfonyl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 170343302
(3R)-4-[2-(1H-indol-4-yl)-7-piperidin-3-ylquinazolin-4-yl]-3-methylmorpholine
CID 167270193
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
(3R)-4-[6-(1H-indol-4-yl)-1-(methylsulfonylmethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 118720884
(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581389
4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406033
2-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
CID 177380499

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (CID 175965732) is (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ccc(-c3cccnc3F)nc12.
What is the InChIKey of (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is GUAJIWGKCYYQOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-15-14-33-13-12-32(15)25-22-21(8-7-20(29-22)18-5-3-10-28-23(18)26)30-24(31-25)17-4-2-6-19-16(17)9-11-27-19/h2-11,15,27H,12-14H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 440.48 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 175965732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).