1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C16H15N7O2 — CID 51106194

IUPAC1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)no1
InChIInChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24)
InChIKeyBKMWCTDITJZRHD-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.52
Rot. Bonds4

About 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 51106194) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID51106194
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)no1
InChIInChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24)
InChIKeyBKMWCTDITJZRHD-UHFFFAOYSA-N
XLogP2.52
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 51106194) is 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)no1.
What is the InChIKey of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is BKMWCTDITJZRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 337.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 51106194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).