ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate

C24H37N5O3 — CID 3238569

IUPACethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1
InChIInChI=1S/C24H37N5O3/c1-8-32-23(31)28-13-11-18(12-14-28)26-20(30)10-9-19-15(2)21-17(4)27-29(24(5,6)7)22(21)25-16(19)3/h18H,8-14H2,1-7H3,(H,26,30)
InChIKeySPKLNOLQRWULOL-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.78
Rot. Bonds5

About ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 3238569) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID3238569
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Nameethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1
InChIInChI=1S/C24H37N5O3/c1-8-32-23(31)28-13-11-18(12-14-28)26-20(30)10-9-19-15(2)21-17(4)27-29(24(5,6)7)22(21)25-16(19)3/h18H,8-14H2,1-7H3,(H,26,30)
InChIKeySPKLNOLQRWULOL-UHFFFAOYSA-N
XLogP3.78
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate (CID 3238569) is ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1.
What is the InChIKey of ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is SPKLNOLQRWULOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-8-32-23(31)28-13-11-18(12-14-28)26-20(30)10-9-19-15(2)21-17(4)27-29(24(5,6)7)22(21)25-16(19)3/h18H,8-14H2,1-7H3,(H,26,30).
What are the key properties of ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 443.59 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 3238569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).