tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate

C27H34N6O2 — CID 167233315

IUPACtert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCCc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)c12
InChIInChI=1S/C27H34N6O2/c1-5-19-16-29-17-21-22(19)24(31-23(30-21)20-6-11-28-12-7-20)32-13-8-27(9-14-32)10-15-33(18-27)25(34)35-26(2,3)4/h6-7,11-12,16-17H,5,8-10,13-15,18H2,1-4H3
InChIKeyWCRPECZWMZLZAX-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.88
Rot. Bonds3

About tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 167233315) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID167233315
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Nametert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCCc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)c12
InChIInChI=1S/C27H34N6O2/c1-5-19-16-29-17-21-22(19)24(31-23(30-21)20-6-11-28-12-7-20)32-13-8-27(9-14-32)10-15-33(18-27)25(34)35-26(2,3)4/h6-7,11-12,16-17H,5,8-10,13-15,18H2,1-4H3
InChIKeyWCRPECZWMZLZAX-UHFFFAOYSA-N
XLogP4.88
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 8-(6-bromo-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233385
tert-butyl 8-(8-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233063
tert-butyl 8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate
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tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 99713936
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
CID 160639767
CID 160639767
1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate
CID 58993693
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719549
[1-hydroxy-2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl] formate
CID 170982598
tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-pyridin-4-ylpyrimidin-4-yl]piperazine-1-carboxylate
CID 3380700
N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide
CID 167232970

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 167233315) is tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate is CCc1cncc2nc(-c3ccncc3)nc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)c12.
What is the InChIKey of tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is WCRPECZWMZLZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-5-19-16-29-17-21-22(19)24(31-23(30-21)20-6-11-28-12-7-20)32-13-8-27(9-14-32)10-15-33(18-27)25(34)35-26(2,3)4/h6-7,11-12,16-17H,5,8-10,13-15,18H2,1-4H3.
What are the key properties of tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 474.61 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 167233315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).