(4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C24H26ClF2N3O5 — CID 137448317

IUPAC(4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESC=C[C@@H](CCO)N1C[C@@H](C(C)C)n2cc(C(=O)NCc3ccc(F)c(Cl)c3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H26ClF2N3O5/c1-4-14(7-8-31)29-11-17(12(2)3)30-10-15(21(32)22(33)20(30)24(29)35)23(34)28-9-13-5-6-16(26)18(25)19(13)27/h4-6,10,12,14,17,31,33H,1,7-9,11H2,2-3H3,(H,28,34)/t14-,17-/m0/s1
InChIKeyNYHHYSCHVGFYLA-YOEHRIQHSA-N
MW509.94 g/mol
LogP3.01
Rot. Bonds8

About (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

(4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 137448317) has the molecular formula C24H26ClF2N3O5 and a molecular weight of 509.94 g/mol. Its IUPAC name is (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID137448317
Molecular FormulaC24H26ClF2N3O5
Molecular Weight509.94 g/mol
Exact Mass509.15
IUPAC Name(4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESC=C[C@@H](CCO)N1C[C@@H](C(C)C)n2cc(C(=O)NCc3ccc(F)c(Cl)c3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H26ClF2N3O5/c1-4-14(7-8-31)29-11-17(12(2)3)30-10-15(21(32)22(33)20(30)24(29)35)23(34)28-9-13-5-6-16(26)18(25)19(13)27/h4-6,10,12,14,17,31,33H,1,7-9,11H2,2-3H3,(H,28,34)/t14-,17-/m0/s1
InChIKeyNYHHYSCHVGFYLA-YOEHRIQHSA-N
XLogP3.01
TPSA111.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.94
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

(1R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-13,13-difluoro-6-hydroxy-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145776
(3S,10R,18R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethenyl-15-hydroxy-14,17-dioxo-4-oxa-1,11-diazatetracyclo[8.7.1.05,18.011,16]octadeca-12,15-diene-13-carboxamide
CID 138527566
(10R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
CID 155155369
(11R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-16-hydroxy-15,18-dioxo-1,12-diazatetracyclo[9.7.1.02,7.012,17]nonadeca-2,4,6,13,16-pentaene-14-carboxamide
CID 155145713
(1R,10S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-ethyl-6-hydroxy-5,8-dioxo-12-oxa-2,9-diazatricyclo[8.5.0.02,7]pentadeca-3,6-diene-4-carboxamide
CID 129094872
(1S,11R,12R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide
CID 90311709
(9R,11R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-4-hydroxy-9-(methoxymethyl)-11-methyl-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 122597309
(1S,10R,13R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-6-hydroxy-10-methyl-5,8-dioxo-12-oxa-2,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,6-diene-4-carboxamide
CID 129065896
N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 138527567
N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
CID 163726622
(3S,7S)-3-but-3-enyl-N-[(3-chloro-2,4-difluorophenyl)methyl]-7-ethenyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 155217644
(1R,5R,14S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-10-hydroxy-14-methyl-9,12-dioxo-17-oxa-6,13-diazatetracyclo[11.4.0.01,5.06,11]heptadeca-7,10-diene-8-carboxamide
CID 122597316

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 137448317) is (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is C=C[C@@H](CCO)N1C[C@@H](C(C)C)n2cc(C(=O)NCc3ccc(F)c(Cl)c3F)c(=O)c(O)c2C1=O.
What is the InChIKey of (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is NYHHYSCHVGFYLA-YOEHRIQHSA-N. The full InChI is InChI=1S/C24H26ClF2N3O5/c1-4-14(7-8-31)29-11-17(12(2)3)30-10-15(21(32)22(33)20(30)24(29)35)23(34)28-9-13-5-6-16(26)18(25)19(13)27/h4-6,10,12,14,17,31,33H,1,7-9,11H2,2-3H3,(H,28,34)/t14-,17-/m0/s1.
What are the key properties of (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
(4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 509.94 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-hydroxy-2-[(3R)-5-hydroxypent-1-en-3-yl]-1,8-dioxo-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 137448317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).