1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

C20H18N6O2 — CID 44548395

IUPAC1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCc1nnc(-c2ccn3c(-c4cccc(NC(=O)NC5CC5)c4)cnc3c2)o1
InChIInChI=1S/C20H18N6O2/c1-12-24-25-19(28-12)14-7-8-26-17(11-21-18(26)10-14)13-3-2-4-16(9-13)23-20(27)22-15-5-6-15/h2-4,7-11,15H,5-6H2,1H3,(H2,22,23,27)
InChIKeyBRQWTVSJEXYHIA-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.64
Rot. Bonds4

About 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 44548395) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
PubChem CID44548395
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCc1nnc(-c2ccn3c(-c4cccc(NC(=O)NC5CC5)c4)cnc3c2)o1
InChIInChI=1S/C20H18N6O2/c1-12-24-25-19(28-12)14-7-8-26-17(11-21-18(26)10-14)13-3-2-4-16(9-13)23-20(27)22-15-5-6-15/h2-4,7-11,15H,5-6H2,1H3,(H2,22,23,27)
InChIKeyBRQWTVSJEXYHIA-UHFFFAOYSA-N
XLogP3.64
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 44548395) is 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is Cc1nnc(-c2ccn3c(-c4cccc(NC(=O)NC5CC5)c4)cnc3c2)o1.
What is the InChIKey of 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The InChIKey is BRQWTVSJEXYHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-24-25-19(28-12)14-7-8-26-17(11-21-18(26)10-14)13-3-2-4-16(9-13)23-20(27)22-15-5-6-15/h2-4,7-11,15H,5-6H2,1H3,(H2,22,23,27).
What are the key properties of 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 374.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 44548395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).