3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

C27H32N6O3 — CID 123508938

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N4CC5COC(C5)C4)nc(N4CC(C)OC(C)C4)nc3n2)c1
InChIInChI=1S/C27H32N6O3/c1-16-11-33(12-17(2)36-16)27-30-24-22(25(31-27)32-13-18-9-21(14-32)35-15-18)7-8-23(29-24)19-5-4-6-20(10-19)26(34)28-3/h4-8,10,16-18,21H,9,11-15H2,1-3H3,(H,28,34)
InChIKeyWASYXBHCBZCSLU-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.89
Rot. Bonds4

About 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide (PubChem CID 123508938) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
PubChem CID123508938
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N4CC5COC(C5)C4)nc(N4CC(C)OC(C)C4)nc3n2)c1
InChIInChI=1S/C27H32N6O3/c1-16-11-33(12-17(2)36-16)27-30-24-22(25(31-27)32-13-18-9-21(14-32)35-15-18)7-8-23(29-24)19-5-4-6-20(10-19)26(34)28-3/h4-8,10,16-18,21H,9,11-15H2,1-3H3,(H,28,34)
InChIKeyWASYXBHCBZCSLU-UHFFFAOYSA-N
XLogP2.89
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 25262792
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-(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
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
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
2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 57442061
[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 16736154
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
3-[4-amino-2-[(6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631438
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
3-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 76539908
3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631478

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide (CID 123508938) is 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3c(N4CC5COC(C5)C4)nc(N4CC(C)OC(C)C4)nc3n2)c1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The InChIKey is WASYXBHCBZCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-16-11-33(12-17(2)36-16)27-30-24-22(25(31-27)32-13-18-9-21(14-32)35-15-18)7-8-23(29-24)19-5-4-6-20(10-19)26(34)28-3/h4-8,10,16-18,21H,9,11-15H2,1-3H3,(H,28,34).
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide has a molecular weight of 488.59 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 123508938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).