6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide

C20H17F3N6O2S — CID 118195338

IUPAC6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)nc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1
InChIInChI=1S/C20H17F3N6O2S/c21-20(22,23)32-17-2-1-14(9-26-17)28-19(31)12-5-16(13-6-24-11-25-7-13)18(27-8-12)29-4-3-15(30)10-29/h1-2,5-9,11,15,30H,3-4,10H2,(H,28,31)/t15-/m1/s1
InChIKeyGQWSJNRNYASGKA-OAHLLOKOSA-N
MW462.46 g/mol
LogP3.37
Rot. Bonds5

About 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide

6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 118195338) has the molecular formula C20H17F3N6O2S and a molecular weight of 462.46 g/mol. Its IUPAC name is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID118195338
Molecular FormulaC20H17F3N6O2S
Molecular Weight462.46 g/mol
Exact Mass462.11
IUPAC Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)nc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1
InChIInChI=1S/C20H17F3N6O2S/c21-20(22,23)32-17-2-1-14(9-26-17)28-19(31)12-5-16(13-6-24-11-25-7-13)18(27-8-12)29-4-3-15(30)10-29/h1-2,5-9,11,15,30H,3-4,10H2,(H,28,31)/t15-/m1/s1
InChIKeyGQWSJNRNYASGKA-OAHLLOKOSA-N
XLogP3.37
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide (CID 118195338) is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(SC(F)(F)F)nc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1.
What is the InChIKey of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GQWSJNRNYASGKA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17F3N6O2S/c21-20(22,23)32-17-2-1-14(9-26-17)28-19(31)12-5-16(13-6-24-11-25-7-13)18(27-8-12)29-4-3-15(30)10-29/h1-2,5-9,11,15,30H,3-4,10H2,(H,28,31)/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide?
6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).