(1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H23F2N3O — CID 7589623

IUPAC(1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C19H23F2N3O/c1-3-14(4-2)22-19(25)24-11-10-23-9-5-6-17(23)18(24)13-7-8-15(20)16(21)12-13/h5-9,12,14,18H,3-4,10-11H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyYVLIMCOFRNVDBF-GOSISDBHSA-N
MW347.41 g/mol
LogP4.07
Rot. Bonds4

About (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 7589623) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID7589623
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name(1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C19H23F2N3O/c1-3-14(4-2)22-19(25)24-11-10-23-9-5-6-17(23)18(24)13-7-8-15(20)16(21)12-13/h5-9,12,14,18H,3-4,10-11H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyYVLIMCOFRNVDBF-GOSISDBHSA-N
XLogP4.07
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16812988
(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387512
ethyl 3-[[(1R)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589619
2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-pentan-3-ylacetamide
CID 18087503
(1R)-1-(4-chlorophenyl)-N-(2,6-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589583
1-(3,4-difluorophenyl)-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994474
(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387626
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543
N-benzyl-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4201134
(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387364
1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810903
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42779338

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 7589623) is (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC(CC)NC(=O)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YVLIMCOFRNVDBF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-3-14(4-2)22-19(25)24-11-10-23-9-5-6-17(23)18(24)13-7-8-15(20)16(21)12-13/h5-9,12,14,18H,3-4,10-11H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 7589623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).