N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H21FN4O — CID 17458660

IUPACN-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN4O/c1-12(2)24-18-15(10-21-24)9-17(13(3)22-18)19(25)23(4)11-14-6-5-7-16(20)8-14/h5-10,12H,11H2,1-4H3
InChIKeyYNXSQGHOWKIMOM-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.73
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 17458660) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID17458660
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN4O/c1-12(2)24-18-15(10-21-24)9-17(13(3)22-18)19(25)23(4)11-14-6-5-7-16(20)8-14/h5-10,12H,11H2,1-4H3
InChIKeyYNXSQGHOWKIMOM-UHFFFAOYSA-N
XLogP3.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 17458660) is N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YNXSQGHOWKIMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12(2)24-18-15(10-21-24)9-17(13(3)22-18)19(25)23(4)11-14-6-5-7-16(20)8-14/h5-10,12H,11H2,1-4H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 17458660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).