tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate

C25H26N4O3 — CID 122531774

IUPACtert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2c(cnn2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H26N4O3/c1-5-19-20(15-6-9-18(30)10-7-15)14-27-23(26)22(19)16-8-11-21-17(12-16)13-28-29(21)24(31)32-25(2,3)4/h6-14,30H,5H2,1-4H3,(H2,26,27)
InChIKeyPDMKUEBBFNDWMR-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.40
Rot. Bonds3

About tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate

tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate (PubChem CID 122531774) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate
PubChem CID122531774
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Nametert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2c(cnn2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H26N4O3/c1-5-19-20(15-6-9-18(30)10-7-15)14-27-23(26)22(19)16-8-11-21-17(12-16)13-28-29(21)24(31)32-25(2,3)4/h6-14,30H,5H2,1-4H3,(H2,26,27)
InChIKeyPDMKUEBBFNDWMR-UHFFFAOYSA-N
XLogP5.40
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl)phenol
CID 122531786
4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531747
4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
CID 122531784
N-[5-(3-pyridyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848026
4-[2-Amino-4-ethyl-5-(1-methylindazol-5-yl)-3-pyridinyl]phenol
CID 145963452
4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenol
CID 86766665
4-[2-Amino-4-ethyl-5-(2-methylindazol-4-yl)-3-pyridinyl]phenol
CID 122531704
4-[6-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridyl]phenol
CID 122531768
4-[6-amino-4-ethyl-5-(3-methyl-1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531783
4-[2-Amino-4-ethyl-5-(2-methylindazol-6-yl)-3-pyridyl]phenol
CID 122531790
N-(5-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)pyridine-2-yl)methanesulfonamide
CID 163234490
Methyl 6-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-3-methylindazole-1-carboxylate
CID 90906655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate?
The IUPAC name of tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate (CID 122531774) is tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate is CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2c(cnn2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate?
The InChIKey is PDMKUEBBFNDWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-5-19-20(15-6-9-18(30)10-7-15)14-27-23(26)22(19)16-8-11-21-17(12-16)13-28-29(21)24(31)32-25(2,3)4/h6-14,30H,5H2,1-4H3,(H2,26,27).
What are the key properties of tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate?
tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazole-1-carboxylate is sourced from PubChem (CID 122531774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).