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

C23H19N7O2 — CID 121416622

IUPAC1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NCc4cccc(-c5ncco5)c4)ncc32)ccn1
InChIInChI=1S/C23H19N7O2/c1-15-9-19(5-6-24-15)30-20-14-26-21(11-18(20)13-28-30)29-23(31)27-12-16-3-2-4-17(10-16)22-25-7-8-32-22/h2-11,13-14H,12H2,1H3,(H2,26,27,29,31)
InChIKeyNSIGQIYXYWMCSW-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.10
Rot. Bonds5

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

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea (PubChem CID 121416622) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea
PubChem CID121416622
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NCc4cccc(-c5ncco5)c4)ncc32)ccn1
InChIInChI=1S/C23H19N7O2/c1-15-9-19(5-6-24-15)30-20-14-26-21(11-18(20)13-28-30)29-23(31)27-12-16-3-2-4-17(10-16)22-25-7-8-32-22/h2-11,13-14H,12H2,1H3,(H2,26,27,29,31)
InChIKeyNSIGQIYXYWMCSW-UHFFFAOYSA-N
XLogP4.10
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea (CID 121416622) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea is Cc1cc(-n2ncc3cc(NC(=O)NCc4cccc(-c5ncco5)c4)ncc32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea?
The InChIKey is NSIGQIYXYWMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-15-9-19(5-6-24-15)30-20-14-26-21(11-18(20)13-28-30)29-23(31)27-12-16-3-2-4-17(10-16)22-25-7-8-32-22/h2-11,13-14H,12H2,1H3,(H2,26,27,29,31).
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea?
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea has a molecular weight of 425.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,3-oxazol-2-yl)phenyl]methyl]urea is sourced from PubChem (CID 121416622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).