(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

C26H33N7O3 — CID 59703457

IUPAC(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N4CCOCC4)nc3)nc2n1
InChIInChI=1S/C26H33N7O3/c1-18-16-35-13-9-32(18)25-21-4-5-22(20-3-6-23(27-15-20)31-7-11-34-12-8-31)28-24(21)29-26(30-25)33-10-14-36-17-19(33)2/h3-6,15,18-19H,7-14,16-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyBMFICIIDERHOOI-OALUTQOASA-N
MW491.60 g/mol
LogP2.37
Rot. Bonds4

About (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 59703457) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID59703457
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N4CCOCC4)nc3)nc2n1
InChIInChI=1S/C26H33N7O3/c1-18-16-35-13-9-32(18)25-21-4-5-22(20-3-6-23(27-15-20)31-7-11-34-12-8-31)28-24(21)29-26(30-25)33-10-14-36-17-19(33)2/h3-6,15,18-19H,7-14,16-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyBMFICIIDERHOOI-OALUTQOASA-N
XLogP2.37
TPSA88.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (CID 59703457) is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)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-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N4CCOCC4)nc3)nc2n1.
What is the InChIKey of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is BMFICIIDERHOOI-OALUTQOASA-N. The full InChI is InChI=1S/C26H33N7O3/c1-18-16-35-13-9-32(18)25-21-4-5-22(20-3-6-23(27-15-20)31-7-11-34-12-8-31)28-24(21)29-26(30-25)33-10-14-36-17-19(33)2/h3-6,15,18-19H,7-14,16-17H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 491.60 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59703457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).