(3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C22H25FN6O2 — CID 59703489

IUPAC(3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccnc3F)nc2n1
InChIInChI=1S/C22H25FN6O2/c1-14-12-30-10-8-28(14)21-17-5-6-18(16-4-3-7-24-19(16)23)25-20(17)26-22(27-21)29-9-11-31-13-15(29)2/h3-7,14-15H,8-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyFARNBWOEZJNGCG-GJZGRUSLSA-N
MW424.48 g/mol
LogP2.68
Rot. Bonds3

About (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 59703489) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID59703489
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name(3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccnc3F)nc2n1
InChIInChI=1S/C22H25FN6O2/c1-14-12-30-10-8-28(14)21-17-5-6-18(16-4-3-7-24-19(16)23)25-20(17)26-22(27-21)29-9-11-31-13-15(29)2/h3-7,14-15H,8-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyFARNBWOEZJNGCG-GJZGRUSLSA-N
XLogP2.68
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 59703489) is (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccnc3F)nc2n1.
What is the InChIKey of (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is FARNBWOEZJNGCG-GJZGRUSLSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-14-12-30-10-8-28(14)21-17-5-6-18(16-4-3-7-24-19(16)23)25-20(17)26-22(27-21)29-9-11-31-13-15(29)2/h3-7,14-15H,8-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 424.48 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[7-(2-fluoro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 59703489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).