ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate

C21H23N5O4 — CID 18570228

IUPACethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1
InChIInChI=1S/C21H23N5O4/c1-3-30-21(29)25-11-9-24(10-12-25)19(27)16-13-23(2)14-17-18(16)22-26(20(17)28)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeySWAUSSZYEPWHNA-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.59
Rot. Bonds3

About ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate

ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate (PubChem CID 18570228) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate
PubChem CID18570228
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Nameethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1
InChIInChI=1S/C21H23N5O4/c1-3-30-21(29)25-11-9-24(10-12-25)19(27)16-13-23(2)14-17-18(16)22-26(20(17)28)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeySWAUSSZYEPWHNA-UHFFFAOYSA-N
XLogP1.59
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
CID 45498089
ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 102239631
5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
CID 18570545
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 126854567
N-(3-acetylphenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 44827298
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 8852508
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373
ethyl 4-[2-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate
CID 7557092

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate (CID 18570228) is ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1.
What is the InChIKey of ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate?
The InChIKey is SWAUSSZYEPWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-3-30-21(29)25-11-9-24(10-12-25)19(27)16-13-23(2)14-17-18(16)22-26(20(17)28)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate has a molecular weight of 409.45 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 18570228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).