1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea

C25H20N8O2 — CID 121416533

IUPAC1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea
SMILESCn1cc2cc(-n3ncc4cc(NC(=O)NC(c5ccccc5)c5cnco5)ncc43)ccc2n1
InChIInChI=1S/C25H20N8O2/c1-32-14-18-9-19(7-8-20(18)31-32)33-21-12-27-23(10-17(21)11-28-33)29-25(34)30-24(22-13-26-15-35-22)16-5-3-2-4-6-16/h2-15,24H,1H3,(H2,27,29,30,34)
InChIKeyCHQCXVLJBXMQKK-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.21
Rot. Bonds5

About 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea

1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea (PubChem CID 121416533) has the molecular formula C25H20N8O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea
PubChem CID121416533
Molecular FormulaC25H20N8O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea
SMILESCn1cc2cc(-n3ncc4cc(NC(=O)NC(c5ccccc5)c5cnco5)ncc43)ccc2n1
InChIInChI=1S/C25H20N8O2/c1-32-14-18-9-19(7-8-20(18)31-32)33-21-12-27-23(10-17(21)11-28-33)29-25(34)30-24(22-13-26-15-35-22)16-5-3-2-4-6-16/h2-15,24H,1H3,(H2,27,29,30,34)
InChIKeyCHQCXVLJBXMQKK-UHFFFAOYSA-N
XLogP4.21
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea?
The IUPAC name of 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea (CID 121416533) is 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea is Cn1cc2cc(-n3ncc4cc(NC(=O)NC(c5ccccc5)c5cnco5)ncc43)ccc2n1.
What is the InChIKey of 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea?
The InChIKey is CHQCXVLJBXMQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O2/c1-32-14-18-9-19(7-8-20(18)31-32)33-21-12-27-23(10-17(21)11-28-33)29-25(34)30-24(22-13-26-15-35-22)16-5-3-2-4-6-16/h2-15,24H,1H3,(H2,27,29,30,34).
What are the key properties of 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea?
1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea has a molecular weight of 464.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylindazol-5-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1,3-oxazol-5-yl(phenyl)methyl]urea is sourced from PubChem (CID 121416533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).