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

C22H24ClN5O2 — CID 25000733

IUPAC(3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C22H24ClN5O2/c1-15-14-30-13-10-28(15)21-18-6-7-19(16-2-4-17(23)5-3-16)24-20(18)25-22(26-21)27-8-11-29-12-9-27/h2-7,15H,8-14H2,1H3/t15-/m0/s1
InChIKeyZZBDNGJIQGWWHP-HNNXBMFYSA-N
MW425.92 g/mol
LogP3.41
Rot. Bonds3

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

(3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 25000733) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is (3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID25000733
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name(3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C22H24ClN5O2/c1-15-14-30-13-10-28(15)21-18-6-7-19(16-2-4-17(23)5-3-16)24-20(18)25-22(26-21)27-8-11-29-12-9-27/h2-7,15H,8-14H2,1H3/t15-/m0/s1
InChIKeyZZBDNGJIQGWWHP-HNNXBMFYSA-N
XLogP3.41
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.41
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-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 25000733) is (3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of (3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is ZZBDNGJIQGWWHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-15-14-30-13-10-28(15)21-18-6-7-19(16-2-4-17(23)5-3-16)24-20(18)25-22(26-21)27-8-11-29-12-9-27/h2-7,15H,8-14H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-(4-chlorophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 425.92 g/mol, XLogP of 3.41, 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-morpholin-4-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 25000733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).