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

C34H43N7O5 — CID 135992186

IUPACtert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCOCC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C
InChIInChI=1S/C34H43N7O5/c1-6-39(33(43)46-34(3,4)5)21-24-18-35-19-26(22(24)2)23-10-11-28-25(17-23)30(38-41(28)29-9-7-8-14-45-29)31-36-20-27(37-31)32(42)40-12-15-44-16-13-40/h10-11,17-20,29H,6-9,12-16,21H2,1-5H3,(H,36,37)
InChIKeyNLGRXEHJLLTBPJ-UHFFFAOYSA-N
MW629.76 g/mol
LogP5.73
Rot. Bonds7

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

tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate (PubChem CID 135992186) has the molecular formula C34H43N7O5 and a molecular weight of 629.76 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate
PubChem CID135992186
Molecular FormulaC34H43N7O5
Molecular Weight629.76 g/mol
Exact Mass629.33
IUPAC Nametert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCOCC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C
InChIInChI=1S/C34H43N7O5/c1-6-39(33(43)46-34(3,4)5)21-24-18-35-19-26(22(24)2)23-10-11-28-25(17-23)30(38-41(28)29-9-7-8-14-45-29)31-36-20-27(37-31)32(42)40-12-15-44-16-13-40/h10-11,17-20,29H,6-9,12-16,21H2,1-5H3,(H,36,37)
InChIKeyNLGRXEHJLLTBPJ-UHFFFAOYSA-N
XLogP5.73
TPSA127.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate (CID 135992186) is tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate is CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCOCC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate?
The InChIKey is NLGRXEHJLLTBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O5/c1-6-39(33(43)46-34(3,4)5)21-24-18-35-19-26(22(24)2)23-10-11-28-25(17-23)30(38-41(28)29-9-7-8-14-45-29)31-36-20-27(37-31)32(42)40-12-15-44-16-13-40/h10-11,17-20,29H,6-9,12-16,21H2,1-5H3,(H,36,37).
What are the key properties of tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate has a molecular weight of 629.76 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 135992186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).