methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate

C26H29N5O4 — CID 155239068

IUPACmethyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC5(CC5)C4)nc3n2)c1
InChIInChI=1S/C26H29N5O4/c1-17-15-34-12-11-31(17)23-20-6-7-21(18-4-3-5-19(14-18)24(32)33-2)27-22(20)28-25(29-23)30-10-13-35-26(16-30)8-9-26/h3-7,14,17H,8-13,15-16H2,1-2H3/t17-/m0/s1
InChIKeyHWNIDICJCMHLQM-KRWDZBQOSA-N
MW475.55 g/mol
LogP3.07
Rot. Bonds4

About methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate

methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate (PubChem CID 155239068) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate
PubChem CID155239068
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Namemethyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC5(CC5)C4)nc3n2)c1
InChIInChI=1S/C26H29N5O4/c1-17-15-34-12-11-31(17)23-20-6-7-21(18-4-3-5-19(14-18)24(32)33-2)27-22(20)28-25(29-23)30-10-13-35-26(16-30)8-9-26/h3-7,14,17H,8-13,15-16H2,1-2H3/t17-/m0/s1
InChIKeyHWNIDICJCMHLQM-KRWDZBQOSA-N
XLogP3.07
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate with MolForge

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Related Compounds

3-[2-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155239057
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(5R)-6-oxa-2-thia-9-azaspiro[4.5]decan-9-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155131267
N'-methanimidoyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzenecarboximidamide
CID 155131220
3-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 76539908
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 147794697
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 25262792
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(oxan-4-yl)benzamide
CID 57463677
3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane
CID 159141247
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 58279487
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2H-pyrrol-5-yl)benzamide
CID 58279480
N-methyl-3-[2-[(3S)-3-methylmorpholin-4-yl]-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 118591386
2-methoxy-5-[4-(3-methylmorpholin-4-yl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 66674135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate?
The IUPAC name of methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate (CID 155239068) is methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate.
What is the SMILES notation for methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate?
The canonical SMILES for methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate is COC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC5(CC5)C4)nc3n2)c1.
What is the InChIKey of methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate?
The InChIKey is HWNIDICJCMHLQM-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17-15-34-12-11-31(17)23-20-6-7-21(18-4-3-5-19(14-18)24(32)33-2)27-22(20)28-25(29-23)30-10-13-35-26(16-30)8-9-26/h3-7,14,17H,8-13,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate?
methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate has a molecular weight of 475.55 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate is sourced from PubChem (CID 155239068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).