1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea

C17H21N5O2 — CID 94027923

IUPAC1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCN(C)[C@H](CNC(=O)NCc1cn2ccccc2n1)c1ccco1
InChIInChI=1S/C17H21N5O2/c1-21(2)14(15-6-5-9-24-15)11-19-17(23)18-10-13-12-22-8-4-3-7-16(22)20-13/h3-9,12,14H,10-11H2,1-2H3,(H2,18,19,23)/t14-/m1/s1
InChIKeyYRILYDXKLQEXKU-CQSZACIVSA-N
MW327.39 g/mol
LogP2.03
Rot. Bonds6

About 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea

1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea (PubChem CID 94027923) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
PubChem CID94027923
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCN(C)[C@H](CNC(=O)NCc1cn2ccccc2n1)c1ccco1
InChIInChI=1S/C17H21N5O2/c1-21(2)14(15-6-5-9-24-15)11-19-17(23)18-10-13-12-22-8-4-3-7-16(22)20-13/h3-9,12,14H,10-11H2,1-2H3,(H2,18,19,23)/t14-/m1/s1
InChIKeyYRILYDXKLQEXKU-CQSZACIVSA-N
XLogP2.03
TPSA74.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea (CID 94027923) is 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea is CN(C)[C@H](CNC(=O)NCc1cn2ccccc2n1)c1ccco1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The InChIKey is YRILYDXKLQEXKU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(2)14(15-6-5-9-24-15)11-19-17(23)18-10-13-12-22-8-4-3-7-16(22)20-13/h3-9,12,14H,10-11H2,1-2H3,(H2,18,19,23)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea has a molecular weight of 327.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 94027923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).