(3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C20H21N3O3 — CID 42098100

IUPAC(3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOc1cccc(-c2n[nH]c3c2CN(C(=O)c2oc(C)cc2C)CC3)c1
InChIInChI=1S/C20H21N3O3/c1-12-9-13(2)26-19(12)20(24)23-8-7-17-16(11-23)18(22-21-17)14-5-4-6-15(10-14)25-3/h4-6,9-10H,7-8,11H2,1-3H3,(H,21,22)
InChIKeyKFZBQRAKUHGBPN-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.49
Rot. Bonds3

About (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 42098100) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID42098100
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOc1cccc(-c2n[nH]c3c2CN(C(=O)c2oc(C)cc2C)CC3)c1
InChIInChI=1S/C20H21N3O3/c1-12-9-13(2)26-19(12)20(24)23-8-7-17-16(11-23)18(22-21-17)14-5-4-6-15(10-14)25-3/h4-6,9-10H,7-8,11H2,1-3H3,(H,21,22)
InChIKeyKFZBQRAKUHGBPN-UHFFFAOYSA-N
XLogP3.49
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 42098100) is (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is COc1cccc(-c2n[nH]c3c2CN(C(=O)c2oc(C)cc2C)CC3)c1.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is KFZBQRAKUHGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-9-13(2)26-19(12)20(24)23-8-7-17-16(11-23)18(22-21-17)14-5-4-6-15(10-14)25-3/h4-6,9-10H,7-8,11H2,1-3H3,(H,21,22).
What are the key properties of (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 42098100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).