N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide

C23H24FN7O2 — CID 169111855

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide
SMILESCC(=O)Nc1cnc(N)c2cn[nH]c12.Cc1cc(F)cnc1CN(C=O)Cc1ccccc1
InChIInChI=1S/C15H15FN2O.C8H9N5O/c1-12-7-14(16)8-17-15(12)10-18(11-19)9-13-5-3-2-4-6-13;1-4(14)12-6-3-10-8(9)5-2-11-13-7(5)6/h2-8,11H,9-10H2,1H3;2-3H,1H3,(H2,9,10)(H,11,13)(H,12,14)
InChIKeyBDGTWGGXCPXJLV-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.19
Rot. Bonds6

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide (PubChem CID 169111855) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide
PubChem CID169111855
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide
SMILESCC(=O)Nc1cnc(N)c2cn[nH]c12.Cc1cc(F)cnc1CN(C=O)Cc1ccccc1
InChIInChI=1S/C15H15FN2O.C8H9N5O/c1-12-7-14(16)8-17-15(12)10-18(11-19)9-13-5-3-2-4-6-13;1-4(14)12-6-3-10-8(9)5-2-11-13-7(5)6/h2-8,11H,9-10H2,1H3;2-3H,1H3,(H2,9,10)(H,11,13)(H,12,14)
InChIKeyBDGTWGGXCPXJLV-UHFFFAOYSA-N
XLogP3.19
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(4-fluorophenyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]oxamide
CID 169112030
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide
CID 170197382
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 169112133
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]oxamide
CID 169111906
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-chloro-2-pyridinyl)methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 170194740
N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 169111460
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 174057206
1-benzyl-1-carbamoyl-3-(5-fluoro-2-methylphenyl)urea
CID 167014670
N-benzyl-N-[(3-fluorophenyl)methyl]formamide
CID 87852455
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113098
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
CID 169115932
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[2-[3-[2-(dimethylamino)ethyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114336

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide (CID 169111855) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide is CC(=O)Nc1cnc(N)c2cn[nH]c12.Cc1cc(F)cnc1CN(C=O)Cc1ccccc1.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide?
The InChIKey is BDGTWGGXCPXJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O.C8H9N5O/c1-12-7-14(16)8-17-15(12)10-18(11-19)9-13-5-3-2-4-6-13;1-4(14)12-6-3-10-8(9)5-2-11-13-7(5)6/h2-8,11H,9-10H2,1H3;2-3H,1H3,(H2,9,10)(H,11,13)(H,12,14).
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide has a molecular weight of 449.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 169111855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).