N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H20N4O2 — CID 139010525

IUPACN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCc1ccc3c(c1)COC3)c(C)nn2C
InChIInChI=1S/C19H20N4O2/c1-11-17(7-16-12(2)22-23(3)18(16)21-11)19(24)20-8-13-4-5-14-9-25-10-15(14)6-13/h4-7H,8-10H2,1-3H3,(H,20,24)
InChIKeyOGJMIAOZYRQJIC-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.55
Rot. Bonds3

About N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 139010525) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID139010525
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCc1ccc3c(c1)COC3)c(C)nn2C
InChIInChI=1S/C19H20N4O2/c1-11-17(7-16-12(2)22-23(3)18(16)21-11)19(24)20-8-13-4-5-14-9-25-10-15(14)6-13/h4-7H,8-10H2,1-3H3,(H,20,24)
InChIKeyOGJMIAOZYRQJIC-UHFFFAOYSA-N
XLogP2.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37031751
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 94184797
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42955667
1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46597159
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42959831
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
N-(1,3-dihydro-2-benzofuran-5-ylmethylsulfonyl)-1,5-dimethyltriazole-4-carboxamide
CID 138000950
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37028631
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 139010525) is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NCc1ccc3c(c1)COC3)c(C)nn2C.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OGJMIAOZYRQJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-17(7-16-12(2)22-23(3)18(16)21-11)19(24)20-8-13-4-5-14-9-25-10-15(14)6-13/h4-7H,8-10H2,1-3H3,(H,20,24).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 139010525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).