tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

C62H68N12O3 — CID 158210856

IUPACtert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C)[nH]4)c3c2)c1C
InChIInChI=1S/C36H42N6O3.C26H26N6/c1-7-41(35(43)45-36(4,5)6)22-27-20-37-21-29(23(27)2)26-16-17-30-28(19-26)33(40-42(30)31-15-11-12-18-44-31)34-38-24(3)32(39-34)25-13-9-8-10-14-25;1-4-27-13-20-14-28-15-22(16(20)2)19-10-11-23-21(12-19)25(32-31-23)26-29-17(3)24(30-26)18-8-6-5-7-9-18/h8-10,13-14,16-17,19-21,31H,7,11-12,15,18,22H2,1-6H3,(H,38,39);5-12,14-15,27H,4,13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyGCBFJPPLBVHVDM-UHFFFAOYSA-N
MW1029.31 g/mol
LogP13.64
Rot. Bonds13

About tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 158210856) has the molecular formula C62H68N12O3 and a molecular weight of 1029.31 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID158210856
Molecular FormulaC62H68N12O3
Molecular Weight1029.31 g/mol
Exact Mass1028.55
IUPAC Nametert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C)[nH]4)c3c2)c1C
InChIInChI=1S/C36H42N6O3.C26H26N6/c1-7-41(35(43)45-36(4,5)6)22-27-20-37-21-29(23(27)2)26-16-17-30-28(19-26)33(40-42(30)31-15-11-12-18-44-31)34-38-24(3)32(39-34)25-13-9-8-10-14-25;1-4-27-13-20-14-28-15-22(16(20)2)19-10-11-23-21(12-19)25(32-31-23)26-29-17(3)24(30-26)18-8-6-5-7-9-18/h8-10,13-14,16-17,19-21,31H,7,11-12,15,18,22H2,1-6H3,(H,38,39);5-12,14-15,27H,4,13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyGCBFJPPLBVHVDM-UHFFFAOYSA-N
XLogP13.64
TPSA180.44 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.31
LogP ≤ 513.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[1-[(4-tert-butylphenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11204498
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445
N-[1-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250446
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(2-phenylethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456201
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
N-[1-(1-benzylimidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 57794685
N-[1-[1-[(3-fluorophenyl)methyl]-5-methylimidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 72190778
N-[1-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11169408
N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11375696
N-(1-(1H-Imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
CID 11409395

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 158210856) is tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C)[nH]4)c3c2)c1C.
What is the InChIKey of tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is GCBFJPPLBVHVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N6O3.C26H26N6/c1-7-41(35(43)45-36(4,5)6)22-27-20-37-21-29(23(27)2)26-16-17-30-28(19-26)33(40-42(30)31-15-11-12-18-44-31)34-38-24(3)32(39-34)25-13-9-8-10-14-25;1-4-27-13-20-14-28-15-22(16(20)2)19-10-11-23-21(12-19)25(32-31-23)26-29-17(3)24(30-26)18-8-6-5-7-9-18/h8-10,13-14,16-17,19-21,31H,7,11-12,15,18,22H2,1-6H3,(H,38,39);5-12,14-15,27H,4,13H2,1-3H3,(H,29,30)(H,31,32).
What are the key properties of tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 1029.31 g/mol, XLogP of 13.64, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 158210856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).