N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H21N5O2 — CID 9490450

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)ccc2o1
InChIInChI=1S/C24H21N5O2/c1-14(2)29-23-19(13-25-29)18(12-20(28-23)16-7-5-4-6-8-16)24(30)27-17-9-10-22-21(11-17)26-15(3)31-22/h4-14H,1-3H3,(H,27,30)
InChIKeyQRJBJDBGBXPYIO-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.38
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9490450) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9490450
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)ccc2o1
InChIInChI=1S/C24H21N5O2/c1-14(2)29-23-19(13-25-29)18(12-20(28-23)16-7-5-4-6-8-16)24(30)27-17-9-10-22-21(11-17)26-15(3)31-22/h4-14H,1-3H3,(H,27,30)
InChIKeyQRJBJDBGBXPYIO-UHFFFAOYSA-N
XLogP5.38
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9490450) is N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nc2cc(NC(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QRJBJDBGBXPYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-14(2)29-23-19(13-25-29)18(12-20(28-23)16-7-5-4-6-8-16)24(30)27-17-9-10-22-21(11-17)26-15(3)31-22/h4-14H,1-3H3,(H,27,30).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9490450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).