7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

C23H22N8O — CID 178093038

IUPAC7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3cc(-c4nn(C(C)C)c5ncnc(N)c45)ccn23)c1
InChIInChI=1S/C23H22N8O/c1-13(2)31-22-19(21(24)26-12-27-22)20(29-31)15-7-8-30-17(11-25-18(30)10-15)23(32)28-16-6-4-5-14(3)9-16/h4-13H,1-3H3,(H,28,32)(H2,24,26,27)
InChIKeyMIVGWBFVVOQMJF-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.86
Rot. Bonds4

About 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178093038) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID178093038
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3cc(-c4nn(C(C)C)c5ncnc(N)c45)ccn23)c1
InChIInChI=1S/C23H22N8O/c1-13(2)31-22-19(21(24)26-12-27-22)20(29-31)15-7-8-30-17(11-25-18(30)10-15)23(32)28-16-6-4-5-14(3)9-16/h4-13H,1-3H3,(H,28,32)(H2,24,26,27)
InChIKeyMIVGWBFVVOQMJF-UHFFFAOYSA-N
XLogP3.86
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 178093038) is 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cnc3cc(-c4nn(C(C)C)c5ncnc(N)c45)ccn23)c1.
What is the InChIKey of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MIVGWBFVVOQMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-13(2)31-22-19(21(24)26-12-27-22)20(29-31)15-7-8-30-17(11-25-18(30)10-15)23(32)28-16-6-4-5-14(3)9-16/h4-13H,1-3H3,(H,28,32)(H2,24,26,27).
What are the key properties of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178093038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).