2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one

C16H14FN5O2S — CID 168879011

IUPAC2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ncc(N2Cc3cn(-c4ccc(OCCF)nc4)nc3C2=O)s1
InChIInChI=1S/C16H14FN5O2S/c1-10-18-7-14(25-10)21-8-11-9-22(20-15(11)16(21)23)12-2-3-13(19-6-12)24-5-4-17/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyCNRBYGIOIDRPFW-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.54
Rot. Bonds5

About 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one

2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 168879011) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID168879011
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC Name2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ncc(N2Cc3cn(-c4ccc(OCCF)nc4)nc3C2=O)s1
InChIInChI=1S/C16H14FN5O2S/c1-10-18-7-14(25-10)21-8-11-9-22(20-15(11)16(21)23)12-2-3-13(19-6-12)24-5-4-17/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyCNRBYGIOIDRPFW-UHFFFAOYSA-N
XLogP2.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 168879011) is 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1ncc(N2Cc3cn(-c4ccc(OCCF)nc4)nc3C2=O)s1.
What is the InChIKey of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CNRBYGIOIDRPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-10-18-7-14(25-10)21-8-11-9-22(20-15(11)16(21)23)12-2-3-13(19-6-12)24-5-4-17/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 359.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 168879011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).