(3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C24H29FN6O3 — CID 58279474

IUPAC(3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCOCc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cnc1F
InChIInChI=1S/C24H29FN6O3/c1-15-12-33-8-6-30(15)23-19-4-5-20(17-10-18(14-32-3)21(25)26-11-17)27-22(19)28-24(29-23)31-7-9-34-13-16(31)2/h4-5,10-11,15-16H,6-9,12-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyOCOZMHREKBOPJW-HOTGVXAUSA-N
MW468.53 g/mol
LogP2.82
Rot. Bonds5

About (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 58279474) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID58279474
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC Name(3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCOCc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cnc1F
InChIInChI=1S/C24H29FN6O3/c1-15-12-33-8-6-30(15)23-19-4-5-20(17-10-18(14-32-3)21(25)26-11-17)27-22(19)28-24(29-23)31-7-9-34-13-16(31)2/h4-5,10-11,15-16H,6-9,12-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyOCOZMHREKBOPJW-HOTGVXAUSA-N
XLogP2.82
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 58279474) is (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-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-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is COCc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cnc1F.
What is the InChIKey of (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is OCOZMHREKBOPJW-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-15-12-33-8-6-30(15)23-19-4-5-20(17-10-18(14-32-3)21(25)26-11-17)27-22(19)28-24(29-23)31-7-9-34-13-16(31)2/h4-5,10-11,15-16H,6-9,12-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 468.53 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[7-[6-fluoro-5-(methoxymethyl)-3-pyridinyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 58279474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).