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

C24H21N7O2 — CID 121416687

IUPAC1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NCc4c(-c5ccccc5)noc4C)ncc32)ccn1
InChIInChI=1S/C24H21N7O2/c1-15-10-19(8-9-25-15)31-21-14-26-22(11-18(21)12-28-31)29-24(32)27-13-20-16(2)33-30-23(20)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H2,26,27,29,32)
InChIKeyKHTBRYCNJQPQKA-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.41
Rot. Bonds5

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

1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121416687) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121416687
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NCc4c(-c5ccccc5)noc4C)ncc32)ccn1
InChIInChI=1S/C24H21N7O2/c1-15-10-19(8-9-25-15)31-21-14-26-22(11-18(21)12-28-31)29-24(32)27-13-20-16(2)33-30-23(20)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H2,26,27,29,32)
InChIKeyKHTBRYCNJQPQKA-UHFFFAOYSA-N
XLogP4.41
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121416687) is 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)NCc4c(-c5ccccc5)noc4C)ncc32)ccn1.
What is the InChIKey of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is KHTBRYCNJQPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-15-10-19(8-9-25-15)31-21-14-26-22(11-18(21)12-28-31)29-24(32)27-13-20-16(2)33-30-23(20)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H2,26,27,29,32).
What are the key properties of 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 439.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121416687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).