(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C24H28ClN5O — CID 25000731

IUPAC(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1CCCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C24H28ClN5O/c1-16-5-3-4-12-30(16)24-27-22-20(23(28-24)29-13-14-31-15-17(29)2)10-11-21(26-22)18-6-8-19(25)9-7-18/h6-11,16-17H,3-5,12-15H2,1-2H3/t16-,17+/m1/s1
InChIKeyOIAUSLOQJDYDEP-SJORKVTESA-N
MW437.98 g/mol
LogP4.95
Rot. Bonds3

About (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 25000731) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID25000731
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1CCCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C24H28ClN5O/c1-16-5-3-4-12-30(16)24-27-22-20(23(28-24)29-13-14-31-15-17(29)2)10-11-21(26-22)18-6-8-19(25)9-7-18/h6-11,16-17H,3-5,12-15H2,1-2H3/t16-,17+/m1/s1
InChIKeyOIAUSLOQJDYDEP-SJORKVTESA-N
XLogP4.95
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 25000731) is (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@@H]1CCCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(Cl)cc3)nc2n1.
What is the InChIKey of (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is OIAUSLOQJDYDEP-SJORKVTESA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-16-5-3-4-12-30(16)24-27-22-20(23(28-24)29-13-14-31-15-17(29)2)10-11-21(26-22)18-6-8-19(25)9-7-18/h6-11,16-17H,3-5,12-15H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 437.98 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[7-(4-chlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 25000731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).