tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate

C28H33N5O3 — CID 166554908

IUPACtert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
SMILESCCc1c(-c2ccc3c(cnn3CCN)c2)cnc(CNC(=O)OC(C)(C)C)c1-c1ccc(O)cc1
InChIInChI=1S/C28H33N5O3/c1-5-22-23(19-8-11-25-20(14-19)15-32-33(25)13-12-29)16-30-24(17-31-27(35)36-28(2,3)4)26(22)18-6-9-21(34)10-7-18/h6-11,14-16,34H,5,12-13,17,29H2,1-4H3,(H,31,35)
InChIKeyJMTPMMNGXNYIAC-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.02
Rot. Bonds7

About tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate (PubChem CID 166554908) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
PubChem CID166554908
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Nametert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
SMILESCCc1c(-c2ccc3c(cnn3CCN)c2)cnc(CNC(=O)OC(C)(C)C)c1-c1ccc(O)cc1
InChIInChI=1S/C28H33N5O3/c1-5-22-23(19-8-11-25-20(14-19)15-32-33(25)13-12-29)16-30-24(17-31-27(35)36-28(2,3)4)26(22)18-6-9-21(34)10-7-18/h6-11,14-16,34H,5,12-13,17,29H2,1-4H3,(H,31,35)
InChIKeyJMTPMMNGXNYIAC-UHFFFAOYSA-N
XLogP5.02
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate 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
(S)-N-(1-Amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-(tert-butyl)phenyl)-3-(pyridin-3-yl)-1H-pyrazol-5-yl)pentanamide
CID 9915237
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-yl)pentanamide
CID 44440746
4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531747
N-(4-hydroxyphenethyl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-3-yl)-1H-pyrazol-5-yl)pentanamide
CID 44440754
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137641135
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-methylphenol
CID 137646334
3-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137661196
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-5-(pyridin-4-yl)-1H-pyrazol-3-yl)pentanamide
CID 44440784
4-[2-Amino-4-ethyl-5-(1-methylindazol-5-yl)-3-pyridinyl]phenol
CID 145963452
4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]phenol
CID 86766658
4-fluoro-2-[5-(3-hydroxypropylamino)-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137632162

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate (CID 166554908) is tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate is CCc1c(-c2ccc3c(cnn3CCN)c2)cnc(CNC(=O)OC(C)(C)C)c1-c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is JMTPMMNGXNYIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-5-22-23(19-8-11-25-20(14-19)15-32-33(25)13-12-29)16-30-24(17-31-27(35)36-28(2,3)4)26(22)18-6-9-21(34)10-7-18/h6-11,14-16,34H,5,12-13,17,29H2,1-4H3,(H,31,35).
What are the key properties of tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 487.60 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[1-(2-aminoethyl)indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 166554908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).