ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate

C23H27N5O3 — CID 3240698

IUPACethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C23H27N5O3/c1-4-31-23(30)27-12-10-17(11-13-27)24-22(29)19-14-15(2)20-16(3)26-28(21(20)25-19)18-8-6-5-7-9-18/h5-9,14,17H,4,10-13H2,1-3H3,(H,24,29)
InChIKeyYHOLPZMUJWMSBR-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.39
Rot. Bonds4

About ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 3240698) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate
PubChem CID3240698
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Nameethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C23H27N5O3/c1-4-31-23(30)27-12-10-17(11-13-27)24-22(29)19-14-15(2)20-16(3)26-28(21(20)25-19)18-8-6-5-7-9-18/h5-9,14,17H,4,10-13H2,1-3H3,(H,24,29)
InChIKeyYHOLPZMUJWMSBR-UHFFFAOYSA-N
XLogP3.39
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate (CID 3240698) is ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1.
What is the InChIKey of ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is YHOLPZMUJWMSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-4-31-23(30)27-12-10-17(11-13-27)24-22(29)19-14-15(2)20-16(3)26-28(21(20)25-19)18-8-6-5-7-9-18/h5-9,14,17H,4,10-13H2,1-3H3,(H,24,29).
What are the key properties of ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3240698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).