1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H25FN4O2 — CID 56503924

IUPAC1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2/c1-30(17-21-11-6-12-33-21)26(32)22-14-24(19-8-3-2-4-9-19)29-25-23(22)15-28-31(25)16-18-7-5-10-20(27)13-18/h2-5,7-10,13-15,21H,6,11-12,16-17H2,1H3
InChIKeyXTWUXSIGAQADSI-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.54
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56503924) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56503924
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2/c1-30(17-21-11-6-12-33-21)26(32)22-14-24(19-8-3-2-4-9-19)29-25-23(22)15-28-31(25)16-18-7-5-10-20(27)13-18/h2-5,7-10,13-15,21H,6,11-12,16-17H2,1H3
InChIKeyXTWUXSIGAQADSI-UHFFFAOYSA-N
XLogP4.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24575624
1-[(3-fluorophenyl)methyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27743291
N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55780936
1-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112818183
1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55858160
N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26689268
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167862830
N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55635669
(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55554031
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011076
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 56503924) is 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CN(CC1CCCO1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XTWUXSIGAQADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-30(17-21-11-6-12-33-21)26(32)22-14-24(19-8-3-2-4-9-19)29-25-23(22)15-28-31(25)16-18-7-5-10-20(27)13-18/h2-5,7-10,13-15,21H,6,11-12,16-17H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56503924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).