2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole

C20H18FN5S — CID 25274693

IUPAC2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole
SMILESFc1ccccc1-c1n[nH]c2c1CN(Cc1cccn1-c1nccs1)CC2
InChIInChI=1S/C20H18FN5S/c21-17-6-2-1-5-15(17)19-16-13-25(10-7-18(16)23-24-19)12-14-4-3-9-26(14)20-22-8-11-27-20/h1-6,8-9,11H,7,10,12-13H2,(H,23,24)
InChIKeyPFJHIAHFAOILMR-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole

2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole (PubChem CID 25274693) has the molecular formula C20H18FN5S and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole
PubChem CID25274693
Molecular FormulaC20H18FN5S
Molecular Weight379.46 g/mol
Exact Mass379.13
IUPAC Name2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole
SMILESFc1ccccc1-c1n[nH]c2c1CN(Cc1cccn1-c1nccs1)CC2
InChIInChI=1S/C20H18FN5S/c21-17-6-2-1-5-15(17)19-16-13-25(10-7-18(16)23-24-19)12-14-4-3-9-26(14)20-22-8-11-27-20/h1-6,8-9,11H,7,10,12-13H2,(H,23,24)
InChIKeyPFJHIAHFAOILMR-UHFFFAOYSA-N
XLogP4.02
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole (CID 25274693) is 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole is Fc1ccccc1-c1n[nH]c2c1CN(Cc1cccn1-c1nccs1)CC2.
What is the InChIKey of 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The InChIKey is PFJHIAHFAOILMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5S/c21-17-6-2-1-5-15(17)19-16-13-25(10-7-18(16)23-24-19)12-14-4-3-9-26(14)20-22-8-11-27-20/h1-6,8-9,11H,7,10,12-13H2,(H,23,24).
What are the key properties of 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole has a molecular weight of 379.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole is sourced from PubChem (CID 25274693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).