ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate

C25H28N8O3 — CID 135308449

IUPACethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)Nc3n[nH]c4cnc(-c5cnn(C)c5C)cc34)cc2)CC1
InChIInChI=1S/C25H28N8O3/c1-4-36-25(35)33-11-9-32(10-12-33)18-7-5-17(6-8-18)24(34)28-23-19-13-21(26-15-22(19)29-30-23)20-14-27-31(3)16(20)2/h5-8,13-15H,4,9-12H2,1-3H3,(H2,28,29,30,34)
InChIKeyJXNJTAGPODNDFI-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.20
Rot. Bonds5

About ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate

ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate (PubChem CID 135308449) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
PubChem CID135308449
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC Nameethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)Nc3n[nH]c4cnc(-c5cnn(C)c5C)cc34)cc2)CC1
InChIInChI=1S/C25H28N8O3/c1-4-36-25(35)33-11-9-32(10-12-33)18-7-5-17(6-8-18)24(34)28-23-19-13-21(26-15-22(19)29-30-23)20-14-27-31(3)16(20)2/h5-8,13-15H,4,9-12H2,1-3H3,(H2,28,29,30,34)
InChIKeyJXNJTAGPODNDFI-UHFFFAOYSA-N
XLogP3.20
TPSA121.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide
CID 135308466
methyl 4-[4-[[5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
CID 134328226
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584379
methyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 68825056
4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
CID 141458906
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
ethyl 4-[2-[[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate
CID 46244747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate (CID 135308449) is ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)Nc3n[nH]c4cnc(-c5cnn(C)c5C)cc34)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate?
The InChIKey is JXNJTAGPODNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3/c1-4-36-25(35)33-11-9-32(10-12-33)18-7-5-17(6-8-18)24(34)28-23-19-13-21(26-15-22(19)29-30-23)20-14-27-31(3)16(20)2/h5-8,13-15H,4,9-12H2,1-3H3,(H2,28,29,30,34).
What are the key properties of ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate?
ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate has a molecular weight of 488.55 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 135308449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).