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

C32H39FN6O5 — CID 137366141

IUPACtert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C32H39FN6O5/c1-21-25(29(36-37(21)5)30(40)38-13-16-42-17-14-38)11-15-43-27-18-23(33)7-8-26(27)22-6-9-28-35-19-24(39(28)20-22)10-12-34-31(41)44-32(2,3)4/h6-9,18-20H,10-17H2,1-5H3,(H,34,41)
InChIKeyLTQRKYAKHARYIF-UHFFFAOYSA-N
MW606.70 g/mol
LogP4.34
Rot. Bonds9

About tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (PubChem CID 137366141) has the molecular formula C32H39FN6O5 and a molecular weight of 606.70 g/mol. Its IUPAC name is tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
PubChem CID137366141
Molecular FormulaC32H39FN6O5
Molecular Weight606.70 g/mol
Exact Mass606.30
IUPAC Nametert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C32H39FN6O5/c1-21-25(29(36-37(21)5)30(40)38-13-16-42-17-14-38)11-15-43-27-18-23(33)7-8-26(27)22-6-9-28-35-19-24(39(28)20-22)10-12-34-31(41)44-32(2,3)4/h6-9,18-20H,10-17H2,1-5H3,(H,34,41)
InChIKeyLTQRKYAKHARYIF-UHFFFAOYSA-N
XLogP4.34
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.70
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate (CID 137366141) is tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCNC(=O)OC(C)(C)C)n3c2)c(C(=O)N2CCOCC2)nn1C.
What is the InChIKey of tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate?
The InChIKey is LTQRKYAKHARYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6O5/c1-21-25(29(36-37(21)5)30(40)38-13-16-42-17-14-38)11-15-43-27-18-23(33)7-8-26(27)22-6-9-28-35-19-24(39(28)20-22)10-12-34-31(41)44-32(2,3)4/h6-9,18-20H,10-17H2,1-5H3,(H,34,41).
What are the key properties of tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate has a molecular weight of 606.70 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate is sourced from PubChem (CID 137366141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).