1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C22H26N4O — CID 112500597

IUPAC1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCCc2ncc3ccccn23)c1
InChIInChI=1S/C22H26N4O/c1-16(2)17-8-7-9-18(14-17)22(3,4)25-21(27)23-12-11-20-24-15-19-10-5-6-13-26(19)20/h5-10,13-15H,1,11-12H2,2-4H3,(H2,23,25,27)
InChIKeyLWWVESBKBXITDA-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.14
Rot. Bonds6

About 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 112500597) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID112500597
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCCc2ncc3ccccn23)c1
InChIInChI=1S/C22H26N4O/c1-16(2)17-8-7-9-18(14-17)22(3,4)25-21(27)23-12-11-20-24-15-19-10-5-6-13-26(19)20/h5-10,13-15H,1,11-12H2,2-4H3,(H2,23,25,27)
InChIKeyLWWVESBKBXITDA-UHFFFAOYSA-N
XLogP4.14
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
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CID 110313770
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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 112500597) is 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCCc2ncc3ccccn23)c1.
What is the InChIKey of 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is LWWVESBKBXITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16(2)17-8-7-9-18(14-17)22(3,4)25-21(27)23-12-11-20-24-15-19-10-5-6-13-26(19)20/h5-10,13-15H,1,11-12H2,2-4H3,(H2,23,25,27).
What are the key properties of 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 362.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 112500597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).