[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

C19H18FN3O2S — CID 28809867

IUPAC[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)s1
InChIInChI=1S/C19H18FN3O2S/c1-25-11-12-6-7-17(26-12)19(24)23-9-8-16-14(10-23)18(22-21-16)13-4-2-3-5-15(13)20/h2-7H,8-11H2,1H3,(H,21,22)
InChIKeyJCLSOWPMVNWTRM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.62
Rot. Bonds4

About [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (PubChem CID 28809867) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
PubChem CID28809867
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)s1
InChIInChI=1S/C19H18FN3O2S/c1-25-11-12-6-7-17(26-12)19(24)23-9-8-16-14(10-23)18(22-21-16)13-4-2-3-5-15(13)20/h2-7H,8-11H2,1H3,(H,21,22)
InChIKeyJCLSOWPMVNWTRM-UHFFFAOYSA-N
XLogP3.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (CID 28809867) is [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is COCc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)s1.
What is the InChIKey of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The InChIKey is JCLSOWPMVNWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-25-11-12-6-7-17(26-12)19(24)23-9-8-16-14(10-23)18(22-21-16)13-4-2-3-5-15(13)20/h2-7H,8-11H2,1H3,(H,21,22).
What are the key properties of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 28809867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).