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

C70H82N14O7 — CID 158982564

IUPACtert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(=O)NCCCOC)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C(=O)NCCCOC)[nH]4)c3c2)c1C
InChIInChI=1S/C40H49N7O5.C30H33N7O2/c1-7-46(39(49)52-40(3,4)5)25-29-23-41-24-31(26(29)2)28-17-18-32-30(22-28)35(45-47(32)33-16-11-12-21-51-33)37-43-34(27-14-9-8-10-15-27)36(44-37)38(48)42-19-13-20-50-6;1-4-31-16-22-17-32-18-24(19(22)2)21-11-12-25-23(15-21)27(37-36-25)29-34-26(20-9-6-5-7-10-20)28(35-29)30(38)33-13-8-14-39-3/h8-10,14-15,17-18,22-24,33H,7,11-13,16,19-21,25H2,1-6H3,(H,42,48)(H,43,44);5-7,9-12,15,17-18,31H,4,8,13-14,16H2,1-3H3,(H,33,38)(H,34,35)(H,36,37)
InChIKeyJPENJQWMPMIOHV-UHFFFAOYSA-N
MW1231.52 g/mol
LogP12.55
Rot. Bonds23

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

tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide (PubChem CID 158982564) has the molecular formula C70H82N14O7 and a molecular weight of 1231.52 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide
PubChem CID158982564
Molecular FormulaC70H82N14O7
Molecular Weight1231.52 g/mol
Exact Mass1230.65
IUPAC Nametert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(=O)NCCCOC)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C(=O)NCCCOC)[nH]4)c3c2)c1C
InChIInChI=1S/C40H49N7O5.C30H33N7O2/c1-7-46(39(49)52-40(3,4)5)25-29-23-41-24-31(26(29)2)28-17-18-32-30(22-28)35(45-47(32)33-16-11-12-21-51-33)37-43-34(27-14-9-8-10-15-27)36(44-37)38(48)42-19-13-20-50-6;1-4-31-16-22-17-32-18-24(19(22)2)21-11-12-25-23(15-21)27(37-36-25)29-34-26(20-9-6-5-7-10-20)28(35-29)30(38)33-13-8-14-39-3/h8-10,14-15,17-18,22-24,33H,7,11-13,16,19-21,25H2,1-6H3,(H,42,48)(H,43,44);5-7,9-12,15,17-18,31H,4,8,13-14,16H2,1-3H3,(H,33,38)(H,34,35)(H,36,37)
InChIKeyJPENJQWMPMIOHV-UHFFFAOYSA-N
XLogP12.55
TPSA257.10 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001231.52
LogP ≤ 512.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide (CID 158982564) is tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide is CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(=O)NCCCOC)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C(=O)NCCCOC)[nH]4)c3c2)c1C.
What is the InChIKey of tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is JPENJQWMPMIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N7O5.C30H33N7O2/c1-7-46(39(49)52-40(3,4)5)25-29-23-41-24-31(26(29)2)28-17-18-32-30(22-28)35(45-47(32)33-16-11-12-21-51-33)37-43-34(27-14-9-8-10-15-27)36(44-37)38(48)42-19-13-20-50-6;1-4-31-16-22-17-32-18-24(19(22)2)21-11-12-25-23(15-21)27(37-36-25)29-34-26(20-9-6-5-7-10-20)28(35-29)30(38)33-13-8-14-39-3/h8-10,14-15,17-18,22-24,33H,7,11-13,16,19-21,25H2,1-6H3,(H,42,48)(H,43,44);5-7,9-12,15,17-18,31H,4,8,13-14,16H2,1-3H3,(H,33,38)(H,34,35)(H,36,37).
What are the key properties of tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide?
tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 1231.52 g/mol, XLogP of 12.55, 23 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[5-[3-[5-(3-methoxypropylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(3-methoxypropyl)-4-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 158982564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).