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

C22H25N5O3 — CID 3239980

IUPACethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C22H25N5O3/c1-4-30-22(29)26-12-10-25(11-13-26)21(28)18-14-15(2)19-16(3)24-27(20(19)23-18)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3
InChIKeyGPVMZWQQKBLJDD-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.95
Rot. Bonds3

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

ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate (PubChem CID 3239980) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate
PubChem CID3239980
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Nameethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C22H25N5O3/c1-4-30-22(29)26-12-10-25(11-13-26)21(28)18-14-15(2)19-16(3)24-27(20(19)23-18)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3
InChIKeyGPVMZWQQKBLJDD-UHFFFAOYSA-N
XLogP2.95
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
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)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate (CID 3239980) is ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=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)piperazine-1-carboxylate?
The InChIKey is GPVMZWQQKBLJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-4-30-22(29)26-12-10-25(11-13-26)21(28)18-14-15(2)19-16(3)24-27(20(19)23-18)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate?
ethyl 4-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl)piperazine-1-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 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)piperazine-1-carboxylate is sourced from PubChem (CID 3239980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).