tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate

C24H32N6O4 — CID 137049063

IUPACtert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCc1c(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C24H32N6O4/c1-15-17(12-25-30(15)21-26-18-7-5-6-16(18)19(31)27-21)20(32)28-10-8-24(9-11-28)13-29(14-24)22(33)34-23(2,3)4/h12H,5-11,13-14H2,1-4H3,(H,26,27,31)
InChIKeyYAUWKDJLXLVKPX-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 137049063) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID137049063
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Nametert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCc1c(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C24H32N6O4/c1-15-17(12-25-30(15)21-26-18-7-5-6-16(18)19(31)27-21)20(32)28-10-8-24(9-11-28)13-29(14-24)22(33)34-23(2,3)4/h12H,5-11,13-14H2,1-4H3,(H,26,27,31)
InChIKeyYAUWKDJLXLVKPX-UHFFFAOYSA-N
XLogP2.23
TPSA113.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate (CID 137049063) is tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate is Cc1c(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is YAUWKDJLXLVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-15-17(12-25-30(15)21-26-18-7-5-6-16(18)19(31)27-21)20(32)28-10-8-24(9-11-28)13-29(14-24)22(33)34-23(2,3)4/h12H,5-11,13-14H2,1-4H3,(H,26,27,31).
What are the key properties of tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 468.56 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 137049063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).