6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C20H26N4O3 — CID 128965049

IUPAC6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(CNCC2CCc3c(C(N)=O)cnn3C2)c2c(c1)CC(C)O2
InChIInChI=1S/C20H26N4O3/c1-12-5-14-6-16(26-2)7-15(19(14)27-12)9-22-8-13-3-4-18-17(20(21)25)10-23-24(18)11-13/h6-7,10,12-13,22H,3-5,8-9,11H2,1-2H3,(H2,21,25)
InChIKeyFVEOKXGIFSRGQR-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.67
Rot. Bonds6

About 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128965049) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID128965049
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(CNCC2CCc3c(C(N)=O)cnn3C2)c2c(c1)CC(C)O2
InChIInChI=1S/C20H26N4O3/c1-12-5-14-6-16(26-2)7-15(19(14)27-12)9-22-8-13-3-4-18-17(20(21)25)10-23-24(18)11-13/h6-7,10,12-13,22H,3-5,8-9,11H2,1-2H3,(H2,21,25)
InChIKeyFVEOKXGIFSRGQR-UHFFFAOYSA-N
XLogP1.67
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128965049) is 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc(CNCC2CCc3c(C(N)=O)cnn3C2)c2c(c1)CC(C)O2.
What is the InChIKey of 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FVEOKXGIFSRGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-12-5-14-6-16(26-2)7-15(19(14)27-12)9-22-8-13-3-4-18-17(20(21)25)10-23-24(18)11-13/h6-7,10,12-13,22H,3-5,8-9,11H2,1-2H3,(H2,21,25).
What are the key properties of 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128965049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).