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

C18H19FN4O — CID 45495918

IUPACN-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(F)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H19FN4O/c1-11(2)23-17-16(10-21-23)15(7-12(3)22-17)18(24)20-9-13-5-4-6-14(19)8-13/h4-8,10-11H,9H2,1-3H3,(H,20,24)
InChIKeyRAZJEHAHOJDSMW-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.39
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 45495918) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID45495918
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(F)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H19FN4O/c1-11(2)23-17-16(10-21-23)15(7-12(3)22-17)18(24)20-9-13-5-4-6-14(19)8-13/h4-8,10-11H,9H2,1-3H3,(H,20,24)
InChIKeyRAZJEHAHOJDSMW-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78876642
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
6-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 100616519
N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32636840
2-[3-[[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527355
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
2-methyl-5-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120523936
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120513011
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676
N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927719
6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(2,6-difluorophenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973231
N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111333170

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 45495918) is N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cccc(F)c2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is RAZJEHAHOJDSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11(2)23-17-16(10-21-23)15(7-12(3)22-17)18(24)20-9-13-5-4-6-14(19)8-13/h4-8,10-11H,9H2,1-3H3,(H,20,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 45495918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).