1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol

C26H33N5O4 — CID 71560284

IUPAC1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(C)O
InChIInChI=1S/C26H33N5O4/c1-16-14-34-11-9-30(16)25-20-6-7-22(19-5-8-23(33-4)21(13-19)18(3)32)27-24(20)28-26(29-25)31-10-12-35-15-17(31)2/h5-8,13,16-18,32H,9-12,14-15H2,1-4H3/t16-,17-,18?/m0/s1
InChIKeyCFCQWFUOZMHDHH-UBFHEZILSA-N
MW479.58 g/mol
LogP3.20
Rot. Bonds5

About 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol

1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol (PubChem CID 71560284) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol
PubChem CID71560284
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(C)O
InChIInChI=1S/C26H33N5O4/c1-16-14-34-11-9-30(16)25-20-6-7-22(19-5-8-23(33-4)21(13-19)18(3)32)27-24(20)28-26(29-25)31-10-12-35-15-17(31)2/h5-8,13,16-18,32H,9-12,14-15H2,1-4H3/t16-,17-,18?/m0/s1
InChIKeyCFCQWFUOZMHDHH-UBFHEZILSA-N
XLogP3.20
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol with MolForge

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Related Compounds

CID 25262965
CID 25262965
CID 16736978
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CID 25262967
CID 25262967
CID 24998178
CID 24998178
CID 57442010
CID 57442010
CID 16735967
CID 16735967
CID 16736981
CID 16736981
CID 24998177
CID 24998177
CID 24998808
CID 24998808
CID 24999737
CID 24999737
CID 25262336
CID 25262336
CID 44200436
CID 44200436

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol?
The IUPAC name of 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol (CID 71560284) is 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol?
The canonical SMILES for 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(C)O.
What is the InChIKey of 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol?
The InChIKey is CFCQWFUOZMHDHH-UBFHEZILSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16-14-34-11-9-30(16)25-20-6-7-22(19-5-8-23(33-4)21(13-19)18(3)32)27-24(20)28-26(29-25)31-10-12-35-15-17(31)2/h5-8,13,16-18,32H,9-12,14-15H2,1-4H3/t16-,17-,18?/m0/s1.
What are the key properties of 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol?
1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol has a molecular weight of 479.58 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]ethanol is sourced from PubChem (CID 71560284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).