2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol

C26H34N6O3 — CID 57441957

IUPAC2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNCCO)cc3)nc2n1
InChIInChI=1S/C26H34N6O3/c1-18-16-34-13-10-31(18)25-22-7-8-23(21-5-3-20(4-6-21)15-27-9-12-33)28-24(22)29-26(30-25)32-11-14-35-17-19(32)2/h3-8,18-19,27,33H,9-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyZLPWVZYCSHRQHR-OALUTQOASA-N
MW478.60 g/mol
LogP2.22
Rot. Bonds7

About 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol

2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol (PubChem CID 57441957) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
PubChem CID57441957
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNCCO)cc3)nc2n1
InChIInChI=1S/C26H34N6O3/c1-18-16-34-13-10-31(18)25-22-7-8-23(21-5-3-20(4-6-21)15-27-9-12-33)28-24(22)29-26(30-25)32-11-14-35-17-19(32)2/h3-8,18-19,27,33H,9-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyZLPWVZYCSHRQHR-OALUTQOASA-N
XLogP2.22
TPSA95.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol (CID 57441957) is 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNCCO)cc3)nc2n1.
What is the InChIKey of 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
The InChIKey is ZLPWVZYCSHRQHR-OALUTQOASA-N. The full InChI is InChI=1S/C26H34N6O3/c1-18-16-34-13-10-31(18)25-22-7-8-23(21-5-3-20(4-6-21)15-27-9-12-33)28-24(22)29-26(30-25)32-11-14-35-17-19(32)2/h3-8,18-19,27,33H,9-17H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol?
2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol has a molecular weight of 478.60 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methylamino]ethanol is sourced from PubChem (CID 57441957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).