1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea

C18H16N6O2 — CID 135222870

IUPAC1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
SMILESCn1nc(-c2ccc(NC(=O)NCc3cnco3)cc2)c2cccnc21
InChIInChI=1S/C18H16N6O2/c1-24-17-15(3-2-8-20-17)16(23-24)12-4-6-13(7-5-12)22-18(25)21-10-14-9-19-11-26-14/h2-9,11H,10H2,1H3,(H2,21,22,25)
InChIKeyQUMQHVIXNKLLOE-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea

1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea (PubChem CID 135222870) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
PubChem CID135222870
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
SMILESCn1nc(-c2ccc(NC(=O)NCc3cnco3)cc2)c2cccnc21
InChIInChI=1S/C18H16N6O2/c1-24-17-15(3-2-8-20-17)16(23-24)12-4-6-13(7-5-12)22-18(25)21-10-14-9-19-11-26-14/h2-9,11H,10H2,1H3,(H2,21,22,25)
InChIKeyQUMQHVIXNKLLOE-UHFFFAOYSA-N
XLogP2.94
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
The IUPAC name of 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea (CID 135222870) is 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
The canonical SMILES for 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea is Cn1nc(-c2ccc(NC(=O)NCc3cnco3)cc2)c2cccnc21.
What is the InChIKey of 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
The InChIKey is QUMQHVIXNKLLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-24-17-15(3-2-8-20-17)16(23-24)12-4-6-13(7-5-12)22-18(25)21-10-14-9-19-11-26-14/h2-9,11H,10H2,1H3,(H2,21,22,25).
What are the key properties of 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea?
1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea has a molecular weight of 348.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea is sourced from PubChem (CID 135222870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).