tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate

C18H26N4O3 — CID 155167575

IUPACtert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
SMILESC[C@@H]1COC[C@H](c2ccc3nc(CNC(=O)OC(C)(C)C)cn3c2)N1
InChIInChI=1S/C18H26N4O3/c1-12-10-24-11-15(20-12)13-5-6-16-21-14(9-22(16)8-13)7-19-17(23)25-18(2,3)4/h5-6,8-9,12,15,20H,7,10-11H2,1-4H3,(H,19,23)/t12-,15-/m1/s1
InChIKeySDNSWRFHNJUXKC-IUODEOHRSA-N
MW346.43 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate

tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate (PubChem CID 155167575) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
PubChem CID155167575
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nametert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
SMILESC[C@@H]1COC[C@H](c2ccc3nc(CNC(=O)OC(C)(C)C)cn3c2)N1
InChIInChI=1S/C18H26N4O3/c1-12-10-24-11-15(20-12)13-5-6-16-21-14(9-22(16)8-13)7-19-17(23)25-18(2,3)4/h5-6,8-9,12,15,20H,7,10-11H2,1-4H3,(H,19,23)/t12-,15-/m1/s1
InChIKeySDNSWRFHNJUXKC-IUODEOHRSA-N
XLogP2.41
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate (CID 155167575) is tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate is C[C@@H]1COC[C@H](c2ccc3nc(CNC(=O)OC(C)(C)C)cn3c2)N1.
What is the InChIKey of tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
The InChIKey is SDNSWRFHNJUXKC-IUODEOHRSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-10-24-11-15(20-12)13-5-6-16-21-14(9-22(16)8-13)7-19-17(23)25-18(2,3)4/h5-6,8-9,12,15,20H,7,10-11H2,1-4H3,(H,19,23)/t12-,15-/m1/s1.
What are the key properties of tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[(3S,5R)-5-methylmorpholin-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate is sourced from PubChem (CID 155167575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).