N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H20N4O2 — CID 166220755

IUPACN-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1ncc2cc(C(=O)NCc3ccc(-c4ccc5c(c4)CCO5)cc3)cnc21
InChIInChI=1S/C23H20N4O2/c1-27-22-19(14-26-27)11-20(13-24-22)23(28)25-12-15-2-4-16(5-3-15)17-6-7-21-18(10-17)8-9-29-21/h2-7,10-11,13-14H,8-9,12H2,1H3,(H,25,28)
InChIKeyZFMGIVOSOMZKMW-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.50
Rot. Bonds4

About N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 166220755) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID166220755
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1ncc2cc(C(=O)NCc3ccc(-c4ccc5c(c4)CCO5)cc3)cnc21
InChIInChI=1S/C23H20N4O2/c1-27-22-19(14-26-27)11-20(13-24-22)23(28)25-12-15-2-4-16(5-3-15)17-6-7-21-18(10-17)8-9-29-21/h2-7,10-11,13-14H,8-9,12H2,1H3,(H,25,28)
InChIKeyZFMGIVOSOMZKMW-UHFFFAOYSA-N
XLogP3.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 49012669
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 167883985
3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
CID 119758146
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
N-[(4-nitrophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 47063560
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 170510996
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 167750663
sodium 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4-oxobutanoate
CID 167799892
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
1-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2,3-dimethylguanidine
CID 75493790
N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220823
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 166220755) is N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cn1ncc2cc(C(=O)NCc3ccc(-c4ccc5c(c4)CCO5)cc3)cnc21.
What is the InChIKey of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZFMGIVOSOMZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27-22-19(14-26-27)11-20(13-24-22)23(28)25-12-15-2-4-16(5-3-15)17-6-7-21-18(10-17)8-9-29-21/h2-7,10-11,13-14H,8-9,12H2,1H3,(H,25,28).
What are the key properties of N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166220755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).