(3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C22H28N6O3 — CID 59703422

IUPAC(3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1ccc2c(N3CCOC[C@@H]3C)nc(N3CCOC[C@@H]3C)nc2n1
InChIInChI=1S/C22H28N6O3/c1-13-11-29-9-7-27(13)21-17-5-6-18(19-15(3)26-31-16(19)4)23-20(17)24-22(25-21)28-8-10-30-12-14(28)2/h5-6,13-14H,7-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyLGTXWSJRDSQVEU-KBPBESRZSA-N
MW424.51 g/mol
LogP2.75
Rot. Bonds3

About (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 59703422) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID59703422
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name(3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1ccc2c(N3CCOC[C@@H]3C)nc(N3CCOC[C@@H]3C)nc2n1
InChIInChI=1S/C22H28N6O3/c1-13-11-29-9-7-27(13)21-17-5-6-18(19-15(3)26-31-16(19)4)23-20(17)24-22(25-21)28-8-10-30-12-14(28)2/h5-6,13-14H,7-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyLGTXWSJRDSQVEU-KBPBESRZSA-N
XLogP2.75
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-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-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 59703422) is (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is Cc1noc(C)c1-c1ccc2c(N3CCOC[C@@H]3C)nc(N3CCOC[C@@H]3C)nc2n1.
What is the InChIKey of (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is LGTXWSJRDSQVEU-KBPBESRZSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-13-11-29-9-7-27(13)21-17-5-6-18(19-15(3)26-31-16(19)4)23-20(17)24-22(25-21)28-8-10-30-12-14(28)2/h5-6,13-14H,7-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 424.51 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 59703422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).