3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol

C33H40N6O5 — CID 16735124

IUPAC3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCC(O)c1cccc(O)c1
InChIInChI=1S/C33H40N6O5/c1-21-19-39(20-22(2)44-21)33-36-31-27(32(37-33)38-11-13-43-14-12-38)8-9-28(35-31)23-7-10-30(42-3)25(15-23)17-34-18-29(41)24-5-4-6-26(40)16-24/h4-10,15-16,21-22,29,34,40-41H,11-14,17-20H2,1-3H3/t21-,22+,29?
InChIKeyYTVDZIFGECAQHV-UXPFIZAPSA-N
MW600.72 g/mol
LogP3.68
Rot. Bonds9

About 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol

3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol (PubChem CID 16735124) has the molecular formula C33H40N6O5 and a molecular weight of 600.72 g/mol. Its IUPAC name is 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol
PubChem CID16735124
Molecular FormulaC33H40N6O5
Molecular Weight600.72 g/mol
Exact Mass600.31
IUPAC Name3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCC(O)c1cccc(O)c1
InChIInChI=1S/C33H40N6O5/c1-21-19-39(20-22(2)44-21)33-36-31-27(32(37-33)38-11-13-43-14-12-38)8-9-28(35-31)23-7-10-30(42-3)25(15-23)17-34-18-29(41)24-5-4-6-26(40)16-24/h4-10,15-16,21-22,29,34,40-41H,11-14,17-20H2,1-3H3/t21-,22+,29?
InChIKeyYTVDZIFGECAQHV-UXPFIZAPSA-N
XLogP3.68
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

Azd8055
CID 25262965
Ku-0063794
CID 16736978
2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol
CID 16735967
(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 16736981
[2-methoxy-5-[2-(1-methoxypropan-2-ylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24998177
(3R)-1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol
CID 24998808
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999737
[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholino-pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-phenyl]methanol
CID 25262967
(5-(2,4-Bis((S)-3-methylmorpholino)pyrido-[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol
CID 44200436
[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 57441850
[5-[2,4-bis[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 57441923
7-[3-(Hydroxymethyl)-4-methoxyphenyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carbonitrile
CID 71250848

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol (CID 16735124) is 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol is COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCC(O)c1cccc(O)c1.
What is the InChIKey of 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol?
The InChIKey is YTVDZIFGECAQHV-UXPFIZAPSA-N. The full InChI is InChI=1S/C33H40N6O5/c1-21-19-39(20-22(2)44-21)33-36-31-27(32(37-33)38-11-13-43-14-12-38)8-9-28(35-31)23-7-10-30(42-3)25(15-23)17-34-18-29(41)24-5-4-6-26(40)16-24/h4-10,15-16,21-22,29,34,40-41H,11-14,17-20H2,1-3H3/t21-,22+,29?.
What are the key properties of 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol?
3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol has a molecular weight of 600.72 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 16735124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).