tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C26H36N6O3 — CID 59483777

IUPACtert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)nc2C1
InChIInChI=1S/C26H36N6O3/c1-25(2,3)35-24(34)32-17-16-31-18-21(28-22(31)19-32)23(33)30-14-8-26(9-15-30)6-12-29(13-7-26)20-4-10-27-11-5-20/h4-5,10-11,18H,6-9,12-17,19H2,1-3H3
InChIKeyLRFOACZEFANEON-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.55
Rot. Bonds2

About tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 59483777) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID59483777
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Nametert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)nc2C1
InChIInChI=1S/C26H36N6O3/c1-25(2,3)35-24(34)32-17-16-31-18-21(28-22(31)19-32)23(33)30-14-8-26(9-15-30)6-12-29(13-7-26)20-4-10-27-11-5-20/h4-5,10-11,18H,6-9,12-17,19H2,1-3H3
InChIKeyLRFOACZEFANEON-UHFFFAOYSA-N
XLogP3.55
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;hydrate
CID 154701035
tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate
CID 171673522
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 130449700
tert-butyl 4-pyridin-4-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394486
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
[3,5-bis(trifluoromethyl)phenyl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3233715
CID 160639767
CID 160639767
tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate;2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 66700987
tert-butyl 2-(1-phenylpyrazol-4-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146166426
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 59483777) is tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)nc2C1.
What is the InChIKey of tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is LRFOACZEFANEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-25(2,3)35-24(34)32-17-16-31-18-21(28-22(31)19-32)23(33)30-14-8-26(9-15-30)6-12-29(13-7-26)20-4-10-27-11-5-20/h4-5,10-11,18H,6-9,12-17,19H2,1-3H3.
What are the key properties of tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 480.61 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 59483777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).