ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C25H25N5O3 — CID 26136171

IUPACethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1n[nH]c3ccccc13)CC2
InChIInChI=1S/C25H25N5O3/c1-2-33-25(32)23-19-16-29(24(31)22-18-10-6-7-11-20(18)26-27-22)14-13-21(19)30(28-23)15-12-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,26,27)
InChIKeyMHIHCDNWCVRZNV-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.38
Rot. Bonds6

About ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26136171) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26136171
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Nameethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1n[nH]c3ccccc13)CC2
InChIInChI=1S/C25H25N5O3/c1-2-33-25(32)23-19-16-29(24(31)22-18-10-6-7-11-20(18)26-27-22)14-13-21(19)30(28-23)15-12-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,26,27)
InChIKeyMHIHCDNWCVRZNV-UHFFFAOYSA-N
XLogP3.38
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26136171) is ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1n[nH]c3ccccc13)CC2.
What is the InChIKey of ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is MHIHCDNWCVRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-2-33-25(32)23-19-16-29(24(31)22-18-10-6-7-11-20(18)26-27-22)14-13-21(19)30(28-23)15-12-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,26,27).
What are the key properties of ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 443.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-indazole-3-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26136171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).