tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate

C29H35FN6O4 — CID 137366129

IUPACtert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1
InChIInChI=1S/C29H35FN6O4/c1-18-22(26(27(37)31-5)34-35(18)6)12-14-39-24-15-20(30)8-9-23(24)19-7-10-25-33-16-21(36(25)17-19)11-13-32-28(38)40-29(2,3)4/h7-10,15-17H,11-14H2,1-6H3,(H,31,37)(H,32,38)
InChIKeyHPZWGOGGNSEIFX-UHFFFAOYSA-N
MW550.64 g/mol
LogP4.23
Rot. Bonds9

About tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate

tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (PubChem CID 137366129) has the molecular formula C29H35FN6O4 and a molecular weight of 550.64 g/mol. Its IUPAC name is tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
PubChem CID137366129
Molecular FormulaC29H35FN6O4
Molecular Weight550.64 g/mol
Exact Mass550.27
IUPAC Nametert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1
InChIInChI=1S/C29H35FN6O4/c1-18-22(26(27(37)31-5)34-35(18)6)12-14-39-24-15-20(30)8-9-23(24)19-7-10-25-33-16-21(36(25)17-19)11-13-32-28(38)40-29(2,3)4/h7-10,15-17H,11-14H2,1-6H3,(H,31,37)(H,32,38)
InChIKeyHPZWGOGGNSEIFX-UHFFFAOYSA-N
XLogP4.23
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.64
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (CID 137366129) is tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is CNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1.
What is the InChIKey of tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?
The InChIKey is HPZWGOGGNSEIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6O4/c1-18-22(26(27(37)31-5)34-35(18)6)12-14-39-24-15-20(30)8-9-23(24)19-7-10-25-33-16-21(36(25)17-19)11-13-32-28(38)40-29(2,3)4/h7-10,15-17H,11-14H2,1-6H3,(H,31,37)(H,32,38).
What are the key properties of tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?
tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate has a molecular weight of 550.64 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(methylcarbamoyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is sourced from PubChem (CID 137366129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).