(2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine

C24H28ClN5O2 — CID 25000732

IUPAC(2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(Cl)cc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H28ClN5O2/c1-15-14-31-11-10-30(15)23-20-8-9-21(18-4-6-19(25)7-5-18)26-22(20)27-24(28-23)29-12-16(2)32-17(3)13-29/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyWVWCYHSGYVJLFN-YESZJQIVSA-N
MW453.97 g/mol
LogP4.18
Rot. Bonds3

About (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine (PubChem CID 25000732) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
PubChem CID25000732
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name(2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(Cl)cc4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H28ClN5O2/c1-15-14-31-11-10-30(15)23-20-8-9-21(18-4-6-19(25)7-5-18)26-22(20)27-24(28-23)29-12-16(2)32-17(3)13-29/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyWVWCYHSGYVJLFN-YESZJQIVSA-N
XLogP4.18
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine (CID 25000732) is (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(Cl)cc4)nc3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
The InChIKey is WVWCYHSGYVJLFN-YESZJQIVSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-15-14-31-11-10-30(15)23-20-8-9-21(18-4-6-19(25)7-5-18)26-22(20)27-24(28-23)29-12-16(2)32-17(3)13-29/h4-9,15-17H,10-14H2,1-3H3/t15-,16-,17+/m0/s1.
What are the key properties of (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine has a molecular weight of 453.97 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 25000732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).