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

C17H19ClN6O3 — CID 121484405

IUPAC(6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCOCC3=O)c2CN1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C17H19ClN6O3/c1-11-8-24-14(13(7-20-24)22-4-5-27-10-16(22)25)9-23(11)17(26)21-12-2-3-19-15(18)6-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21,26)/t11-/m0/s1
InChIKeyDIRUZVPOBNEDSX-NSHDSACASA-N
MW390.83 g/mol
LogP1.73
Rot. Bonds2

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

(6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484405) has the molecular formula C17H19ClN6O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484405
Molecular FormulaC17H19ClN6O3
Molecular Weight390.83 g/mol
Exact Mass390.12
IUPAC Name(6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCOCC3=O)c2CN1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C17H19ClN6O3/c1-11-8-24-14(13(7-20-24)22-4-5-27-10-16(22)25)9-23(11)17(26)21-12-2-3-19-15(18)6-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21,26)/t11-/m0/s1
InChIKeyDIRUZVPOBNEDSX-NSHDSACASA-N
XLogP1.73
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(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-chloro-4-fluorophenyl)-6-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484605
N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484074
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484066
(6S)-N-(3,5-difluoro-4-methylphenyl)-6-methyl-3-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 163599843
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484451
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484126
N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484608
(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484191
1-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 121484318
(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484226
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166828040

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484405) is (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CCOCC3=O)c2CN1C(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is DIRUZVPOBNEDSX-NSHDSACASA-N. The full InChI is InChI=1S/C17H19ClN6O3/c1-11-8-24-14(13(7-20-24)22-4-5-27-10-16(22)25)9-23(11)17(26)21-12-2-3-19-15(18)6-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21,26)/t11-/m0/s1.
What are the key properties of (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).