tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate

C28H31N5O4 — CID 169178847

IUPACtert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCc1nc2c(C)cc(-c3cc(=O)n4cc(C5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)ccc4n3)nc2o1
InChIInChI=1S/C28H31N5O4/c1-16-12-20(31-25-24(16)29-17(2)36-25)21-13-23(34)32-15-19(6-7-22(32)30-21)18-8-11-33(28(14-18)9-10-28)26(35)37-27(3,4)5/h6-7,12-13,15,18H,8-11,14H2,1-5H3
InChIKeyJPWWTBWXQHBQAV-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.16
Rot. Bonds2

About tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 169178847) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID169178847
Molecular FormulaC28H31N5O4
Molecular Weight501.59 g/mol
Exact Mass501.24
IUPAC Nametert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCc1nc2c(C)cc(-c3cc(=O)n4cc(C5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)ccc4n3)nc2o1
InChIInChI=1S/C28H31N5O4/c1-16-12-20(31-25-24(16)29-17(2)36-25)21-13-23(34)32-15-19(6-7-22(32)30-21)18-8-11-33(28(14-18)9-10-28)26(35)37-27(3,4)5/h6-7,12-13,15,18H,8-11,14H2,1-5H3
InChIKeyJPWWTBWXQHBQAV-UHFFFAOYSA-N
XLogP5.16
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate
CID 169178838
tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 166116816
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
CID 156708870
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
CID 168902406
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
1-O-tert-butyl 2-O-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 7569458
tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate
CID 146404981
tert-butyl (4S,5S)-4-[2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-5-fluoroazepane-1-carboxylate
CID 67229604
tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate
CID 102457240
tert-butyl 7-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 155277258
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate (CID 169178847) is tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate is Cc1nc2c(C)cc(-c3cc(=O)n4cc(C5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)ccc4n3)nc2o1.
What is the InChIKey of tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is JPWWTBWXQHBQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-16-12-20(31-25-24(16)29-17(2)36-25)21-13-23(34)32-15-19(6-7-22(32)30-21)18-8-11-33(28(14-18)9-10-28)26(35)37-27(3,4)5/h6-7,12-13,15,18H,8-11,14H2,1-5H3.
What are the key properties of tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 501.59 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 169178847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).