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

C23H26ClN5O2 — CID 57441884

IUPAC(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C23H26ClN5O2/c1-15-13-30-11-9-28(15)22-19-7-8-20(17-3-5-18(24)6-4-17)25-21(19)26-23(27-22)29-10-12-31-14-16(29)2/h3-8,15-16H,9-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyWWGLMECIYGTMLD-HOTGVXAUSA-N
MW439.95 g/mol
LogP3.80
Rot. Bonds3

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

(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 57441884) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID57441884
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C23H26ClN5O2/c1-15-13-30-11-9-28(15)22-19-7-8-20(17-3-5-18(24)6-4-17)25-21(19)26-23(27-22)29-10-12-31-14-16(29)2/h3-8,15-16H,9-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyWWGLMECIYGTMLD-HOTGVXAUSA-N
XLogP3.80
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 57441884) is (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-(4-chlorophenyl)-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(-c3ccc(Cl)cc3)nc2n1.
What is the InChIKey of (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is WWGLMECIYGTMLD-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-15-13-30-11-9-28(15)22-19-7-8-20(17-3-5-18(24)6-4-17)25-21(19)26-23(27-22)29-10-12-31-14-16(29)2/h3-8,15-16H,9-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 439.95 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[7-(4-chlorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 57441884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).