1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide

C23H22N4O2 — CID 130338826

IUPAC1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide
SMILESCN1CCc2oc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3c2C1
InChIInChI=1S/C23H22N4O2/c1-26-10-9-22-20(15-26)19-11-18(7-8-21(19)29-22)25-23(28)17-12-24-27(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,25,28)
InChIKeyANWSGBBYDPFGIE-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.92
Rot. Bonds4

About 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide

1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide (PubChem CID 130338826) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide
PubChem CID130338826
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide
SMILESCN1CCc2oc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3c2C1
InChIInChI=1S/C23H22N4O2/c1-26-10-9-22-20(15-26)19-11-18(7-8-21(19)29-22)25-23(28)17-12-24-27(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,25,28)
InChIKeyANWSGBBYDPFGIE-UHFFFAOYSA-N
XLogP3.92
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide (CID 130338826) is 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide is CN1CCc2oc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3c2C1.
What is the InChIKey of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide?
The InChIKey is ANWSGBBYDPFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-10-9-22-20(15-26)19-11-18(7-8-21(19)29-22)25-23(28)17-12-24-27(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide?
1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 130338826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).