[3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C25H25N5O3 — CID 59703542

IUPAC[3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ccc(-c4cccc(CO)c4)nc3n2)cn1
InChIInChI=1S/C25H25N5O3/c1-16-15-33-11-10-30(16)25-20-7-8-21(18-5-3-4-17(12-18)14-31)27-24(20)28-23(29-25)19-6-9-22(32-2)26-13-19/h3-9,12-13,16,31H,10-11,14-15H2,1-2H3/t16-/m0/s1
InChIKeyWSCWUIMSZAZLLP-INIZCTEOSA-N
MW443.51 g/mol
LogP3.48
Rot. Bonds5

About [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 59703542) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID59703542
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name[3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ccc(-c4cccc(CO)c4)nc3n2)cn1
InChIInChI=1S/C25H25N5O3/c1-16-15-33-11-10-30(16)25-20-7-8-21(18-5-3-4-17(12-18)14-31)27-24(20)28-23(29-25)19-6-9-22(32-2)26-13-19/h3-9,12-13,16,31H,10-11,14-15H2,1-2H3/t16-/m0/s1
InChIKeyWSCWUIMSZAZLLP-INIZCTEOSA-N
XLogP3.48
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 59703542) is [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is COc1ccc(-c2nc(N3CCOC[C@@H]3C)c3ccc(-c4cccc(CO)c4)nc3n2)cn1.
What is the InChIKey of [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is WSCWUIMSZAZLLP-INIZCTEOSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-15-33-11-10-30(16)25-20-7-8-21(18-5-3-4-17(12-18)14-31)27-24(20)28-23(29-25)19-6-9-22(32-2)26-13-19/h3-9,12-13,16,31H,10-11,14-15H2,1-2H3/t16-/m0/s1.
What are the key properties of [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 443.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(6-methoxy-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 59703542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).