[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C24H29N5O3 — CID 16736154

IUPAC[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4cccc(CO)c4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H29N5O3/c1-16-13-29(14-17(2)32-16)24-26-22-20(23(27-24)28-8-10-31-11-9-28)6-7-21(25-22)19-5-3-4-18(12-19)15-30/h3-7,12,16-17,30H,8-11,13-15H2,1-2H3/t16-,17+
InChIKeyWWPXQLNPQDUMTA-CALCHBBNSA-N
MW435.53 g/mol
LogP2.63
Rot. Bonds4

About [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 16736154) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID16736154
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESC[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4cccc(CO)c4)nc3n2)C[C@H](C)O1
InChIInChI=1S/C24H29N5O3/c1-16-13-29(14-17(2)32-16)24-26-22-20(23(27-24)28-8-10-31-11-9-28)6-7-21(25-22)19-5-3-4-18(12-19)15-30/h3-7,12,16-17,30H,8-11,13-15H2,1-2H3/t16-,17+
InChIKeyWWPXQLNPQDUMTA-CALCHBBNSA-N
XLogP2.63
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 16736154) is [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is C[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4cccc(CO)c4)nc3n2)C[C@H](C)O1.
What is the InChIKey of [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is WWPXQLNPQDUMTA-CALCHBBNSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-13-29(14-17(2)32-16)24-26-22-20(23(27-24)28-8-10-31-11-9-28)6-7-21(25-22)19-5-3-4-18(12-19)15-30/h3-7,12,16-17,30H,8-11,13-15H2,1-2H3/t16-,17+.
What are the key properties of [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 435.53 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 16736154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).