1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C27H21Cl2F2N5O3 — CID 166482535

IUPAC1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESFc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCc3ccccn3)cc(NC(=O)c3cc(F)cc(Cl)c3)c2CN1
InChIInChI=1S/C21H17ClFN5O3.C6H4ClF/c22-13-5-12(6-14(23)7-13)20(30)27-16-8-17(28-11-19(29)25-10-18(16)28)21(31)26-9-15-3-1-2-4-24-15;7-5-1-3-6(8)4-2-5/h1-8H,9-11H2,(H,25,29)(H,26,31)(H,27,30);1-4H
InChIKeyNOYUYVQLOSKHKU-UHFFFAOYSA-N
MW572.40 g/mol
LogP4.97
Rot. Bonds5

About 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide

1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 166482535) has the molecular formula C27H21Cl2F2N5O3 and a molecular weight of 572.40 g/mol. Its IUPAC name is 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID166482535
Molecular FormulaC27H21Cl2F2N5O3
Molecular Weight572.40 g/mol
Exact Mass571.10
IUPAC Name1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESFc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCc3ccccn3)cc(NC(=O)c3cc(F)cc(Cl)c3)c2CN1
InChIInChI=1S/C21H17ClFN5O3.C6H4ClF/c22-13-5-12(6-14(23)7-13)20(30)27-16-8-17(28-11-19(29)25-10-18(16)28)21(31)26-9-15-3-1-2-4-24-15;7-5-1-3-6(8)4-2-5/h1-8H,9-11H2,(H,25,29)(H,26,31)(H,27,30);1-4H
InChIKeyNOYUYVQLOSKHKU-UHFFFAOYSA-N
XLogP4.97
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.40
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166482555
1-chloro-4-fluorobenzene;N-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxamide
CID 166482997
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3927672
4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109087202
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 166482535) is 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Fc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCc3ccccn3)cc(NC(=O)c3cc(F)cc(Cl)c3)c2CN1.
What is the InChIKey of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is NOYUYVQLOSKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O3.C6H4ClF/c22-13-5-12(6-14(23)7-13)20(30)27-16-8-17(28-11-19(29)25-10-18(16)28)21(31)26-9-15-3-1-2-4-24-15;7-5-1-3-6(8)4-2-5/h1-8H,9-11H2,(H,25,29)(H,26,31)(H,27,30);1-4H.
What are the key properties of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 572.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 166482535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).