2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one

C20H18FN5O2 — CID 168787081

IUPAC2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CC[C@@H](F)C4)nc3)nc2CN1c1ccccc1O
InChIInChI=1S/C20H18FN5O2/c21-13-7-8-24(10-13)19-6-5-14(9-22-19)26-11-15-16(23-26)12-25(20(15)28)17-3-1-2-4-18(17)27/h1-6,9,11,13,27H,7-8,10,12H2/t13-/m1/s1
InChIKeyIDDKAVKPMPOISD-CYBMUJFWSA-N
MW379.40 g/mol
LogP2.68
Rot. Bonds3

About 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one

2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168787081) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID168787081
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CC[C@@H](F)C4)nc3)nc2CN1c1ccccc1O
InChIInChI=1S/C20H18FN5O2/c21-13-7-8-24(10-13)19-6-5-14(9-22-19)26-11-15-16(23-26)12-25(20(15)28)17-3-1-2-4-18(17)27/h1-6,9,11,13,27H,7-8,10,12H2/t13-/m1/s1
InChIKeyIDDKAVKPMPOISD-CYBMUJFWSA-N
XLogP2.68
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 168787081) is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2cn(-c3ccc(N4CC[C@@H](F)C4)nc3)nc2CN1c1ccccc1O.
What is the InChIKey of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is IDDKAVKPMPOISD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-13-7-8-24(10-13)19-6-5-14(9-22-19)26-11-15-16(23-26)12-25(20(15)28)17-3-1-2-4-18(17)27/h1-6,9,11,13,27H,7-8,10,12H2/t13-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 379.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(2-hydroxyphenyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168787081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).