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

C27H36N6O4 — CID 57441974

IUPAC2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNCCO
InChIInChI=1S/C27H36N6O4/c1-18-16-36-12-9-32(18)26-22-5-6-23(20-4-7-24(35-3)21(14-20)15-28-8-11-34)29-25(22)30-27(31-26)33-10-13-37-17-19(33)2/h4-7,14,18-19,28,34H,8-13,15-17H2,1-3H3/t18-,19-/m0/s1
InChIKeyYPGCYUPZBDGOEX-OALUTQOASA-N
MW508.62 g/mol
LogP2.23
Rot. Bonds8

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

2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol (PubChem CID 57441974) has the molecular formula C27H36N6O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol
PubChem CID57441974
Molecular FormulaC27H36N6O4
Molecular Weight508.62 g/mol
Exact Mass508.28
IUPAC Name2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNCCO
InChIInChI=1S/C27H36N6O4/c1-18-16-36-12-9-32(18)26-22-5-6-23(20-4-7-24(35-3)21(14-20)15-28-8-11-34)29-25(22)30-27(31-26)33-10-13-37-17-19(33)2/h4-7,14,18-19,28,34H,8-13,15-17H2,1-3H3/t18-,19-/m0/s1
InChIKeyYPGCYUPZBDGOEX-OALUTQOASA-N
XLogP2.23
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol?
The IUPAC name of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol (CID 57441974) is 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol?
The canonical SMILES for 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNCCO.
What is the InChIKey of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol?
The InChIKey is YPGCYUPZBDGOEX-OALUTQOASA-N. The full InChI is InChI=1S/C27H36N6O4/c1-18-16-36-12-9-32(18)26-22-5-6-23(20-4-7-24(35-3)21(14-20)15-28-8-11-34)29-25(22)30-27(31-26)33-10-13-37-17-19(33)2/h4-7,14,18-19,28,34H,8-13,15-17H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol?
2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol has a molecular weight of 508.62 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]ethanol is sourced from PubChem (CID 57441974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).