1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H22N6O3 — CID 55609349

IUPAC1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1
InChIInChI=1S/C26H22N6O3/c1-27-25(33)18-6-2-5-17(11-18)13-29-26(34)21-12-23(19-7-3-9-28-14-19)31-24-22(21)15-30-32(24)16-20-8-4-10-35-20/h2-12,14-15H,13,16H2,1H3,(H,27,33)(H,29,34)
InChIKeyUBWSOTTUHLNTCE-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.42
Rot. Bonds7

About 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55609349) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55609349
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC Name1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1
InChIInChI=1S/C26H22N6O3/c1-27-25(33)18-6-2-5-17(11-18)13-29-26(34)21-12-23(19-7-3-9-28-14-19)31-24-22(21)15-30-32(24)16-20-8-4-10-35-20/h2-12,14-15H,13,16H2,1H3,(H,27,33)(H,29,34)
InChIKeyUBWSOTTUHLNTCE-UHFFFAOYSA-N
XLogP3.42
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78835342
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55545738
1-(furan-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55504581
1-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522023
1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52554963
N-(cyanomethoxy)-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146096805
1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610578
1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55504742
N-[1-(2-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55504407
[1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 55503967
1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30000839
1-(furan-2-ylmethyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55505283

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55609349) is 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cccc(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UBWSOTTUHLNTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-27-25(33)18-6-2-5-17(11-18)13-29-26(34)21-12-23(19-7-3-9-28-14-19)31-24-22(21)15-30-32(24)16-20-8-4-10-35-20/h2-12,14-15H,13,16H2,1H3,(H,27,33)(H,29,34).
What are the key properties of 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55609349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).