N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H27N5O3 — CID 26079973

IUPACN-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c1
InChIInChI=1S/C29H27N5O3/c1-3-33(4-2)29(36)21-12-8-13-22(16-21)31-28(35)24-17-26(20-10-6-5-7-11-20)32-27-25(24)18-30-34(27)19-23-14-9-15-37-23/h5-18H,3-4,19H2,1-2H3,(H,31,35)
InChIKeyNIWIRAROBALSMS-UHFFFAOYSA-N
MW493.57 g/mol
LogP5.47
Rot. Bonds8

About N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26079973) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26079973
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c1
InChIInChI=1S/C29H27N5O3/c1-3-33(4-2)29(36)21-12-8-13-22(16-21)31-28(35)24-17-26(20-10-6-5-7-11-20)32-27-25(24)18-30-34(27)19-23-14-9-15-37-23/h5-18H,3-4,19H2,1-2H3,(H,31,35)
InChIKeyNIWIRAROBALSMS-UHFFFAOYSA-N
XLogP5.47
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38621778
N-[3-(diethylcarbamoyl)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24595929
1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30000839
1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55504742
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30039321
1-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522023
N,N-diethyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25336169
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801954
1-(furan-2-ylmethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55609349
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)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26020581
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 26079973) is N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NIWIRAROBALSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-3-33(4-2)29(36)21-12-8-13-22(16-21)31-28(35)24-17-26(20-10-6-5-7-11-20)32-27-25(24)18-30-34(27)19-23-14-9-15-37-23/h5-18H,3-4,19H2,1-2H3,(H,31,35).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26079973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).