tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate

C20H30N4O3 — CID 130351912

IUPACtert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCc1nccc2c1c(C)nn2C1(CCO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N4O3/c1-14-17-15(2)22-24(16(17)6-10-21-14)20(9-13-25)7-11-23(12-8-20)18(26)27-19(3,4)5/h6,10,25H,7-9,11-13H2,1-5H3
InChIKeyDCCXOSSSPYBYTH-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate

tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 130351912) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID130351912
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nametert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCc1nccc2c1c(C)nn2C1(CCO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N4O3/c1-14-17-15(2)22-24(16(17)6-10-21-14)20(9-13-25)7-11-23(12-8-20)18(26)27-19(3,4)5/h6,10,25H,7-9,11-13H2,1-5H3
InChIKeyDCCXOSSSPYBYTH-UHFFFAOYSA-N
XLogP3.16
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 130351920
tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate
CID 178043076
tert-butyl 4-(2-aminoethyl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 68895447
tert-butyl 4-(2-hydroxyethyl)-4-isocyanopiperidine-1-carboxylate
CID 88867098
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
1-O-tert-butyl 4-O-ethyl 4-(2-chloro-4-pyridinyl)piperidine-1,4-dicarboxylate
CID 90024521
1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate
CID 58993693
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate (CID 130351912) is tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate is Cc1nccc2c1c(C)nn2C1(CCO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is DCCXOSSSPYBYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14-17-15(2)22-24(16(17)6-10-21-14)20(9-13-25)7-11-23(12-8-20)18(26)27-19(3,4)5/h6,10,25H,7-9,11-13H2,1-5H3.
What are the key properties of tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 374.49 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 130351912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).