(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H17ClN4O — CID 95163655

IUPAC(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C19H17ClN4O/c20-18-15(8-4-10-21-18)22-19(25)24-13-12-23-11-5-9-16(23)17(24)14-6-2-1-3-7-14/h1-11,17H,12-13H2,(H,22,25)/t17-/m1/s1
InChIKeyYNXOCVJGQCFNFG-QGZVFWFLSA-N
MW352.83 g/mol
LogP4.17
Rot. Bonds2

About (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95163655) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID95163655
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C19H17ClN4O/c20-18-15(8-4-10-21-18)22-19(25)24-13-12-23-11-5-9-16(23)17(24)14-6-2-1-3-7-14/h1-11,17H,12-13H2,(H,22,25)/t17-/m1/s1
InChIKeyYNXOCVJGQCFNFG-QGZVFWFLSA-N
XLogP4.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321
1-(4-chlorophenyl)-N-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810849
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387364
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543
N-(4-chlorophenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810924
(1R)-N-(4-ethoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387337
N-(2-methoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4060887
(1S)-1-(4-tert-butylphenyl)-N-(2-ethylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92956454
(1R)-1-(4-chlorophenyl)-N-(2,6-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589583
(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95762685
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 95163655) is (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(Nc1cccnc1Cl)N1CCn2cccc2[C@H]1c1ccccc1.
What is the InChIKey of (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YNXOCVJGQCFNFG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-18-15(8-4-10-21-18)22-19(25)24-13-12-23-11-5-9-16(23)17(24)14-6-2-1-3-7-14/h1-11,17H,12-13H2,(H,22,25)/t17-/m1/s1.
What are the key properties of (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95163655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).