tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate

C21H32N4O2 — CID 155167651

IUPACtert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2cc(CNCC3CCCCC3)ccc2n1
InChIInChI=1S/C21H32N4O2/c1-21(2,3)27-20(26)23-13-18-15-25-14-17(9-10-19(25)24-18)12-22-11-16-7-5-4-6-8-16/h9-10,14-16,22H,4-8,11-13H2,1-3H3,(H,23,26)
InChIKeyLMTAZYZDLOYXKX-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.03
Rot. Bonds6

About tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate

tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate (PubChem CID 155167651) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
PubChem CID155167651
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Nametert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2cc(CNCC3CCCCC3)ccc2n1
InChIInChI=1S/C21H32N4O2/c1-21(2,3)27-20(26)23-13-18-15-25-14-17(9-10-19(25)24-18)12-22-11-16-7-5-4-6-8-16/h9-10,14-16,22H,4-8,11-13H2,1-3H3,(H,23,26)
InChIKeyLMTAZYZDLOYXKX-UHFFFAOYSA-N
XLogP4.03
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate (CID 155167651) is tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cn2cc(CNCC3CCCCC3)ccc2n1.
What is the InChIKey of tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
The InChIKey is LMTAZYZDLOYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-21(2,3)27-20(26)23-13-18-15-25-14-17(9-10-19(25)24-18)12-22-11-16-7-5-4-6-8-16/h9-10,14-16,22H,4-8,11-13H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate?
tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate has a molecular weight of 372.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate is sourced from PubChem (CID 155167651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).