ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate

C22H21N5O2 — CID 3980164

IUPACethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
SMILESCCOC(=O)Nc1cc(NC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C22H21N5O2/c1-2-29-22(28)27-18-13-17(20-21(26-18)24-14-23-20)25-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyVYIJVQXSEXGOBY-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.73
Rot. Bonds6

About ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate

ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate (PubChem CID 3980164) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
PubChem CID3980164
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Nameethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
SMILESCCOC(=O)Nc1cc(NC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C22H21N5O2/c1-2-29-22(28)27-18-13-17(20-21(26-18)24-14-23-20)25-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyVYIJVQXSEXGOBY-UHFFFAOYSA-N
XLogP4.73
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
The IUPAC name of ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate (CID 3980164) is ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate.
What is the SMILES notation for ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
The canonical SMILES for ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate is CCOC(=O)Nc1cc(NC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
The InChIKey is VYIJVQXSEXGOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-29-22(28)27-18-13-17(20-21(26-18)24-14-23-20)25-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate?
ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate has a molecular weight of 387.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 3980164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).