(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C20H23F2N5O3 — CID 163845619

IUPAC(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(N4C(=O)OCCC4C)cnn3C[C@@H]2C)cc(F)c1F
InChIInChI=1S/C20H23F2N5O3/c1-11-6-14(7-15(21)18(11)22)24-19(28)25-10-17-16(8-23-26(17)9-13(25)3)27-12(2)4-5-30-20(27)29/h6-8,12-13H,4-5,9-10H2,1-3H3,(H,24,28)/t12?,13-/m0/s1
InChIKeyOPWROLCNWBUSKC-ABLWVSNPSA-N
MW419.43 g/mol
LogP3.64
Rot. Bonds2

About (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 163845619) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID163845619
Molecular FormulaC20H23F2N5O3
Molecular Weight419.43 g/mol
Exact Mass419.18
IUPAC Name(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(N4C(=O)OCCC4C)cnn3C[C@@H]2C)cc(F)c1F
InChIInChI=1S/C20H23F2N5O3/c1-11-6-14(7-15(21)18(11)22)24-19(28)25-10-17-16(8-23-26(17)9-13(25)3)27-12(2)4-5-30-20(27)29/h6-8,12-13H,4-5,9-10H2,1-3H3,(H,24,28)/t12?,13-/m0/s1
InChIKeyOPWROLCNWBUSKC-ABLWVSNPSA-N
XLogP3.64
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151259440
tert-butyl 4-[[1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]amino]piperidine-1-carboxylate
CID 164612890
N-[4-fluoro-3-(5-morpholin-4-ylpyrazolo[1,5-b]pyridazin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 168274302
(6S)-6-methyl-3-(3-oxomorpholin-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483849
N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483861
3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483971
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483989
N-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484031
3-(4-fluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484153
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
3-(4-fluorophenyl)-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484307
N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484347

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 163845619) is (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cc1cc(NC(=O)N2Cc3c(N4C(=O)OCCC4C)cnn3C[C@@H]2C)cc(F)c1F.
What is the InChIKey of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is OPWROLCNWBUSKC-ABLWVSNPSA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-11-6-14(7-15(21)18(11)22)24-19(28)25-10-17-16(8-23-26(17)9-13(25)3)27-12(2)4-5-30-20(27)29/h6-8,12-13H,4-5,9-10H2,1-3H3,(H,24,28)/t12?,13-/m0/s1.
What are the key properties of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 163845619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).