(3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C22H25ClN6O2 — CID 59703440

IUPAC(3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cncc(Cl)c3)nc2n1
InChIInChI=1S/C22H25ClN6O2/c1-14-12-30-7-5-28(14)21-18-3-4-19(16-9-17(23)11-24-10-16)25-20(18)26-22(27-21)29-6-8-31-13-15(29)2/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyCTVFNCUSGYADEL-GJZGRUSLSA-N
MW440.94 g/mol
LogP3.19
Rot. Bonds3

About (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 59703440) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID59703440
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name(3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cncc(Cl)c3)nc2n1
InChIInChI=1S/C22H25ClN6O2/c1-14-12-30-7-5-28(14)21-18-3-4-19(16-9-17(23)11-24-10-16)25-20(18)26-22(27-21)29-6-8-31-13-15(29)2/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyCTVFNCUSGYADEL-GJZGRUSLSA-N
XLogP3.19
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 59703440) is (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[7-(5-chloro-3-pyridinyl)-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(-c3cncc(Cl)c3)nc2n1.
What is the InChIKey of (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is CTVFNCUSGYADEL-GJZGRUSLSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-14-12-30-7-5-28(14)21-18-3-4-19(16-9-17(23)11-24-10-16)25-20(18)26-22(27-21)29-6-8-31-13-15(29)2/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 440.94 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[7-(5-chloro-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 59703440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).