(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

C21H27N7O2 — CID 59703383

IUPAC(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cnn(C)c3)nc2n1
InChIInChI=1S/C21H27N7O2/c1-14-12-29-8-6-27(14)20-17-4-5-18(16-10-22-26(3)11-16)23-19(17)24-21(25-20)28-7-9-30-13-15(28)2/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyXNXZERDHSQROLO-GJZGRUSLSA-N
MW409.49 g/mol
LogP1.88
Rot. Bonds3

About (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 59703383) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID59703383
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cnn(C)c3)nc2n1
InChIInChI=1S/C21H27N7O2/c1-14-12-29-8-6-27(14)20-17-4-5-18(16-10-22-26(3)11-16)23-19(17)24-21(25-20)28-7-9-30-13-15(28)2/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyXNXZERDHSQROLO-GJZGRUSLSA-N
XLogP1.88
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (CID 59703383) is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cnn(C)c3)nc2n1.
What is the InChIKey of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is XNXZERDHSQROLO-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-14-12-29-8-6-27(14)20-17-4-5-18(16-10-22-26(3)11-16)23-19(17)24-21(25-20)28-7-9-30-13-15(28)2/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 409.49 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59703383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).