1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea

C20H22N8O — CID 25176099

IUPAC1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
SMILESCC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4ccccc4)ccc3n2)n1
InChIInChI=1S/C20H22N8O/c1-14(2)28-25-17(24-26-28)10-11-21-20(29)23-18-13-27-12-16(8-9-19(27)22-18)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H2,21,23,29)
InChIKeyFGLMXKAMKKVJIG-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.93
Rot. Bonds6

About 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea

1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea (PubChem CID 25176099) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
PubChem CID25176099
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea
SMILESCC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4ccccc4)ccc3n2)n1
InChIInChI=1S/C20H22N8O/c1-14(2)28-25-17(24-26-28)10-11-21-20(29)23-18-13-27-12-16(8-9-19(27)22-18)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H2,21,23,29)
InChIKeyFGLMXKAMKKVJIG-UHFFFAOYSA-N
XLogP2.93
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea?
The IUPAC name of 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea (CID 25176099) is 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea is CC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4ccccc4)ccc3n2)n1.
What is the InChIKey of 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea?
The InChIKey is FGLMXKAMKKVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-14(2)28-25-17(24-26-28)10-11-21-20(29)23-18-13-27-12-16(8-9-19(27)22-18)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H2,21,23,29).
What are the key properties of 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea?
1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea has a molecular weight of 390.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylimidazo[1,2-a]pyridin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 25176099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).