tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate

C27H28Cl2N4O3 — CID 16732566

IUPACtert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@H](Cc4cc(Cl)cc(Cl)c4)NC(=O)OC(C)(C)C)c3)cc12
InChIInChI=1S/C27H28Cl2N4O3/c1-16-24-11-18(5-6-25(24)33-32-16)19-10-23(14-30-13-19)35-15-22(31-26(34)36-27(2,3)4)9-17-7-20(28)12-21(29)8-17/h5-8,10-14,22H,9,15H2,1-4H3,(H,31,34)(H,32,33)/t22-/m0/s1
InChIKeyJBPMVHFOFYJSBR-QFIPXVFZSA-N
MW527.45 g/mol
LogP6.75
Rot. Bonds7

About tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate (PubChem CID 16732566) has the molecular formula C27H28Cl2N4O3 and a molecular weight of 527.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate
PubChem CID16732566
Molecular FormulaC27H28Cl2N4O3
Molecular Weight527.45 g/mol
Exact Mass526.15
IUPAC Nametert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@H](Cc4cc(Cl)cc(Cl)c4)NC(=O)OC(C)(C)C)c3)cc12
InChIInChI=1S/C27H28Cl2N4O3/c1-16-24-11-18(5-6-25(24)33-32-16)19-10-23(14-30-13-19)35-15-22(31-26(34)36-27(2,3)4)9-17-7-20(28)12-21(29)8-17/h5-8,10-14,22H,9,15H2,1-4H3,(H,31,34)(H,32,33)/t22-/m0/s1
InChIKeyJBPMVHFOFYJSBR-QFIPXVFZSA-N
XLogP6.75
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.45
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]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

tert-butyl N-[(2S)-1-(3-chloro-4-fluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 16732563
(2S)-1-(4-fluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10384897
tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane
CID 145472824
4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile
CID 22607558
(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine
CID 23647009
(2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 16731499
N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide
CID 10092344
tert-butyl N-[(2S)-2-amino-3-phenylpropanoyl]-N-[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]carbamate
CID 87841234
tert-butyl N-[3-hydroxy-4-[(3-methyl-2H-indazol-5-yl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 66769745
tert-butyl N-[(2S)-1-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamate
CID 91362706
(3S)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2761567
N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide
CID 171347757

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate (CID 16732566) is tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate is Cc1[nH]nc2ccc(-c3cncc(OC[C@H](Cc4cc(Cl)cc(Cl)c4)NC(=O)OC(C)(C)C)c3)cc12.
What is the InChIKey of tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate?
The InChIKey is JBPMVHFOFYJSBR-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H28Cl2N4O3/c1-16-24-11-18(5-6-25(24)33-32-16)19-10-23(14-30-13-19)35-15-22(31-26(34)36-27(2,3)4)9-17-7-20(28)12-21(29)8-17/h5-8,10-14,22H,9,15H2,1-4H3,(H,31,34)(H,32,33)/t22-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate has a molecular weight of 527.45 g/mol, XLogP of 6.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamate is sourced from PubChem (CID 16732566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).