tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate

C24H37N5O5 — CID 171480182

IUPACtert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
SMILESCOC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1cc(=O)n(C)c2cn(C3CCCCO3)nc12
InChIInChI=1S/C24H37N5O5/c1-16-12-28(17(15-32-6)13-27(16)23(31)34-24(2,3)4)18-11-20(30)26(5)19-14-29(25-22(18)19)21-9-7-8-10-33-21/h11,14,16-17,21H,7-10,12-13,15H2,1-6H3/t16-,17-,21?/m1/s1
InChIKeyVUYYOCJEAYJMEC-LJMNQJIDSA-N
MW475.59 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate

tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate (PubChem CID 171480182) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
PubChem CID171480182
Molecular FormulaC24H37N5O5
Molecular Weight475.59 g/mol
Exact Mass475.28
IUPAC Nametert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
SMILESCOC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1cc(=O)n(C)c2cn(C3CCCCO3)nc12
InChIInChI=1S/C24H37N5O5/c1-16-12-28(17(15-32-6)13-27(16)23(31)34-24(2,3)4)18-11-20(30)26(5)19-14-29(25-22(18)19)21-9-7-8-10-33-21/h11,14,16-17,21H,7-10,12-13,15H2,1-6H3/t16-,17-,21?/m1/s1
InChIKeyVUYYOCJEAYJMEC-LJMNQJIDSA-N
XLogP2.89
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171479917
tert-butyl (2S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 175545907
7-[(2S,5R)-2,5-diethyl-4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480111
tert-butyl (2S,5R)-5-methyl-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-1-carboxylate
CID 164753790
tert-butyl 5-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 170352245
2-[7-[(2R,5R)-2-(methoxymethyl)-5-methyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 171480460
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 3-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 170351522
tert-butyl 8-[[(3S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-3-methylpiperazin-1-yl]methyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 170044355
tert-butyl (2R,5R)-4-[2-(6-cyclohexyl-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazine-1-carboxylate
CID 70980573
tert-butyl N-[2-[2-[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethyl]carbamate
CID 140775204
tert-butyl N-[2-[[3-iodo-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl]carbamate
CID 90461440

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate (CID 171480182) is tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate is COC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1cc(=O)n(C)c2cn(C3CCCCO3)nc12.
What is the InChIKey of tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?
The InChIKey is VUYYOCJEAYJMEC-LJMNQJIDSA-N. The full InChI is InChI=1S/C24H37N5O5/c1-16-12-28(17(15-32-6)13-27(16)23(31)34-24(2,3)4)18-11-20(30)26(5)19-14-29(25-22(18)19)21-9-7-8-10-33-21/h11,14,16-17,21H,7-10,12-13,15H2,1-6H3/t16-,17-,21?/m1/s1.
What are the key properties of tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?
tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate has a molecular weight of 475.59 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-(methoxymethyl)-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 171480182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).