6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H25FN4O2 — CID 55799779

IUPAC6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NC(COc3ccccc3F)c3ccccc3)c12
InChIInChI=1S/C26H25FN4O2/c1-16-24-19(14-21(18-12-13-18)28-25(24)31(2)30-16)26(32)29-22(17-8-4-3-5-9-17)15-33-23-11-7-6-10-20(23)27/h3-11,14,18,22H,12-13,15H2,1-2H3,(H,29,32)
InChIKeyDVBKSHOFAAXGNC-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.84
Rot. Bonds7

About 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55799779) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55799779
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NC(COc3ccccc3F)c3ccccc3)c12
InChIInChI=1S/C26H25FN4O2/c1-16-24-19(14-21(18-12-13-18)28-25(24)31(2)30-16)26(32)29-22(17-8-4-3-5-9-17)15-33-23-11-7-6-10-20(23)27/h3-11,14,18,22H,12-13,15H2,1-2H3,(H,29,32)
InChIKeyDVBKSHOFAAXGNC-UHFFFAOYSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622505
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55689006
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
N-[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52621902
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112809110
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95303336

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55799779) is 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC(COc3ccccc3F)c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DVBKSHOFAAXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-16-24-19(14-21(18-12-13-18)28-25(24)31(2)30-16)26(32)29-22(17-8-4-3-5-9-17)15-33-23-11-7-6-10-20(23)27/h3-11,14,18,22H,12-13,15H2,1-2H3,(H,29,32).
What are the key properties of 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55799779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).