(6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H15F4N5O — CID 121484200

IUPAC(6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H15F4N5O/c1-10-8-28-17(13(7-25-28)16-3-2-11(20)6-24-16)9-27(10)19(29)26-12-4-14(21)18(23)15(22)5-12/h2-7,10H,8-9H2,1H3,(H,26,29)/t10-/m0/s1
InChIKeyFKLKRJMLZVOVHJ-JTQLQIEISA-N
MW405.36 g/mol
LogP3.94
Rot. Bonds2

About (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484200) has the molecular formula C19H15F4N5O and a molecular weight of 405.36 g/mol. Its IUPAC name is (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484200
Molecular FormulaC19H15F4N5O
Molecular Weight405.36 g/mol
Exact Mass405.12
IUPAC Name(6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H15F4N5O/c1-10-8-28-17(13(7-25-28)16-3-2-11(20)6-24-16)9-27(10)19(29)26-12-4-14(21)18(23)15(22)5-12/h2-7,10H,8-9H2,1H3,(H,26,29)/t10-/m0/s1
InChIKeyFKLKRJMLZVOVHJ-JTQLQIEISA-N
XLogP3.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484200) is (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is FKLKRJMLZVOVHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C19H15F4N5O/c1-10-8-28-17(13(7-25-28)16-3-2-11(20)6-24-16)9-27(10)19(29)26-12-4-14(21)18(23)15(22)5-12/h2-7,10H,8-9H2,1H3,(H,26,29)/t10-/m0/s1.
What are the key properties of (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 405.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(5-fluoro-2-pyridinyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).